| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-06-03 10:45:33 UTC |
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| Update Date | 2016-11-09 01:22:53 UTC |
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| Accession Number | CHEM043245 |
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| Identification |
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| Common Name | 2,2,2-trifluoro-N'-[(2Z)-piperazin-2-ylidene]acetohydrazide |
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| Class | Small Molecule |
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| Description | Not Available |
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| Contaminant Sources | |
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| 2,2,2-Trifluoro-N-(3,4,5,6-tetrahydropyrazin-2-yl)ethanehydrazonate | Generator |
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| Chemical Formula | C6H9F3N4O |
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| Average Molecular Mass | 210.160 g/mol |
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| Monoisotopic Mass | 210.073 g/mol |
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| CAS Registry Number | 763105-70-0 |
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| IUPAC Name | 2,2,2-trifluoro-N-(3,4,5,6-tetrahydropyrazin-2-yl)ethanehydrazonic acid |
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| Traditional Name | 2,2,2-trifluoro-N-(3,4,5,6-tetrahydropyrazin-2-yl)ethanehydrazonic acid |
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| SMILES | OC(=NNC1=NCCNC1)C(F)(F)F |
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| InChI Identifier | InChI=1S/C6H9F3N4O/c7-6(8,9)5(14)13-12-4-3-10-1-2-11-4/h10H,1-3H2,(H,11,12)(H,13,14) |
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| InChI Key | RKIDLJBEMIARHI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as imidolactams. These are cyclic organooxygen compounds containing the structure RC(=N)N where the central carbon atom and one of the linked nitrogen atoms are part of the same ring( R here is an organyl group). They can also be viewed as analogs of lactams where the oxygen atom is replaced by a nitrogen atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Imidolactams |
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| Sub Class | Not Available |
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| Direct Parent | Imidolactams |
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| Alternative Parents | |
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| Substituents | - Imidolactam
- Carboxylic acid amidrazone
- Amino acid or derivatives
- Carboxylic acid hydrazide
- Amidine
- Carboxylic acid derivative
- Secondary aliphatic amine
- Secondary amine
- Propargyl-type 1,3-dipolar organic compound
- Organic 1,3-dipolar compound
- Azacycle
- Organonitrogen compound
- Organofluoride
- Organohalogen compound
- Organic oxide
- Alkyl halide
- Organopnictogen compound
- Carbonyl group
- Organooxygen compound
- Organic oxygen compound
- Amine
- Organic nitrogen compound
- Alkyl fluoride
- Hydrocarbon derivative
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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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 | Not Available |
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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 | Not Available |
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| Appearance | Not Available |
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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 | splash10-03di-7960000000-c6bc8270924e73cdb347 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03ea-6930000000-eb93b9bd39a1cac68d70 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-006y-9000000000-c56a16376f6bbbc7e452 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-4980000000-2f6956ae51b33b84e651 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-05p2-5910000000-2394e7a818986d7ab3cd | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-06tf-9700000000-8a2457133f91efdad38a | 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) | Not Available |
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| Uses/Sources | Not Available |
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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 | Not Available |
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| PubChem Compound ID | 10036009 |
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| Kegg Compound ID | Not Available |
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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 | Not Available |
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