<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3846</id>
  <title>T3D3791</title>
  <common-name>Ametryn</common-name>
  <description>Ametryn, a member of the Triazine chemical family, is a herbicide which inhibits photosynthesis and other enzymatic processes. It is used to control broadleaf weeds and annual grasses in pineapple, sugarcane and bananas. It is used on corn and potato crops for general weed control. It is also used as a vine desiccant on dry beans and potatoes. The EPA classifies it as Toxicity Class III, slightly toxic. Symptoms of acute exposure to high doses include nausea, vomiting, diarrhea, muscle weakness, and salivation.</description>
  <cas>834-12-8</cas>
  <pubchem-id>13263</pubchem-id>
  <chemical-formula>C9H17N5S</chemical-formula>
  <weight>227.33</weight>
  <appearance>White powder.</appearance>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>This is a man-made compound that is used as a pesticide.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2013-04-25T07:56:49Z</created-at>
  <updated-at type="dateTime">2026-04-17T19:21:30Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C18700</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>22472</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCNC1=NC(NC(C)C)=NC(SC)=N1</moldb-smiles>
  <moldb-formula>C9H17N5S</moldb-formula>
  <moldb-inchi>InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)</moldb-inchi>
  <moldb-inchikey>RQVYBGPQFYCBGX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">227.33</moldb-average-mass>
  <moldb-mono-mass type="decimal">227.120466259</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1235774</chembl-id>
  <chemspider-id>12705</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM002752</chemdb-id>
  <dsstox-id>DTXSID1023869</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00000481</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>62.730000000000004</moldb-polar-surface-area>
  <moldb-refractivity>69.4221</moldb-refractivity>
  <moldb-polarizability>25.37537517959419</moldb-polarizability>
  <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count>
  <moldb-acceptor-count>5</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic>14.632623863778978</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>5.741342099627418</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>3.09</moldb-alogps-logp>
  <moldb-alogps-logs>-3.63</moldb-alogps-logs>
  <moldb-alogps-solubility>5.29e-02 g/l</moldb-alogps-solubility>
</compound>
