| Record Information |
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| Version | 1.0 |
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| Creation Date | 2013-04-25 07:56:54 UTC |
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| Update Date | 2016-11-09 01:08:59 UTC |
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| Accession Number | CHEM002874 |
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| Identification |
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| Common Name | Pymetrozine |
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| Class | Small Molecule |
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| Description | Pymetrozine is a neuroactive insecticide that selectively affects chordotonal mechanoreceptors. Physiologically, it appears to act by preventing these insects from inserting their stylus into the plant tissue. It controls many strains of aphids on potatoes and in a range of vegetable brassica crops. Pymetrozine has been determined to be of low acute toxicity to humans, birds, aquatic organisms, mammals, and bees. |
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| Contaminant Sources | - STOFF IDENT Compounds
- T3DB toxins
- ToxCast & Tox21 Chemicals
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| Contaminant Type | - Insecticide
- Organic Compound
- Pesticide
- Synthetic Compound
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| (e)-4,5-Dihydro-6-methyl-4-((3-pyridinylmethylene)amino)-1,2,4-triazin-3(2H)-one | ChEBI |
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| Chemical Formula | C10H11N5O |
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| Average Molecular Mass | 217.227 g/mol |
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| Monoisotopic Mass | 217.096 g/mol |
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| CAS Registry Number | 123312-89-0 |
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| IUPAC Name | 6-methyl-4-[(E)-(pyridin-3-ylmethylidene)amino]-2,3,4,5-tetrahydro-1,2,4-triazin-3-one |
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| Traditional Name | endeavor |
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| SMILES | CC1=NNC(=O)N(C1)\N=C\C1=CC=CN=C1 |
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| InChI Identifier | InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+ |
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| InChI Key | QHMTXANCGGJZRX-WUXMJOGZSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as 1,2,4-triazines. 1,2,4-triazines are compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 2, and 4. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Triazines |
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| Sub Class | 1,2,4-triazines |
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| Direct Parent | 1,2,4-triazines |
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| Alternative Parents | |
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| Substituents | - 1,2,4-triazine
- Pyridine
- Heteroaromatic compound
- Azacycle
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Exogenous |
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| Cellular Locations | |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Solid |
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| Appearance | White powder. |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014i-0290000000-d0ee4d64fc31b113c278 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03dr-1910000000-ead59c3a233a73eb19e1 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-053u-9300000000-bec7727375c76f341c5f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-9730000000-8cf9aa6f3aa48ccd9a1e | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0007-9400000000-249d0b9ca3daad2e9b64 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9200000000-0d62d3658487b30bb886 | Spectrum | | MS | Mass Spectrum (Electron Ionization) | splash10-03dj-9300000000-0227c62ae652df68c9c2 | Spectrum | | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | No indication of carcinogenicity to humans (not listed by IARC). |
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| Uses/Sources | This is a man-made compound that is used as a pesticide. |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | 39311 |
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| PubChem Compound ID | 9576037 |
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| Kegg Compound ID | C18590 |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | |
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