<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4597</id>
  <title>T3D4543</title>
  <common-name>Triadimefon</common-name>
  <description>Triadimefon is a fungicide used to control powdery mildew, rusts, and other infections in many crops. It is also a pesticide transformation product. Its mode of action is systemic with protective, curative and eradicant action. It disrupts membrane function. As a seed treatment, it is used on barley, corn, cotton, oats, rye, sorghum, and wheat. In fruit it is used on pineapple and banana. Non-food uses include pine seedlings, Christmas trees, turf, ornamental plants, and landscaping.</description>
  <cas>43121-43-3</cas>
  <pubchem-id>39385</pubchem-id>
  <chemical-formula>C14H16ClN3O2</chemical-formula>
  <weight>293.75</weight>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <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">2014-08-29T06:51:46Z</created-at>
  <updated-at type="dateTime">2026-04-17T17:08:44Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C11156</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <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>CC(C)(C)C(=O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1</moldb-smiles>
  <moldb-formula>C14H16ClN3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3</moldb-inchi>
  <moldb-inchikey>WURBVZBTWMNKQT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">293.749</moldb-average-mass>
  <moldb-mono-mass type="decimal">293.093104478</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL520897</chembl-id>
  <chemspider-id>36029</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>CHEM003503</chemdb-id>
  <dsstox-id>DTXSID3023897</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00009440</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>57.010000000000005</moldb-polar-surface-area>
  <moldb-refractivity>87.73670000000001</moldb-refractivity>
  <moldb-polarizability>29.226757093230347</moldb-polarizability>
  <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count>
  <moldb-acceptor-count>4</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic>18.62281607343005</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>1.929936694907393</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>2.66</moldb-alogps-logp>
  <moldb-alogps-logs>-3.37</moldb-alogps-logs>
  <moldb-alogps-solubility>1.25e-01 g/l</moldb-alogps-solubility>
</compound>
