<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">46026</id>
  <title nil="true"/>
  <common-name>6-tert-butyl-7-(6-diethylamino-2-methyl-3-pyridylimino)-3-(3-methylphenyl)pyrazolo[3,2-c][1,2,4]triazole</common-name>
  <description nil="true"/>
  <cas>162208-01-7</cas>
  <pubchem-id>15333710</pubchem-id>
  <chemical-formula>C25H31N7</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <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 nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2016-06-03T12:41:16Z</created-at>
  <updated-at type="dateTime">2026-03-26T20:21:21Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <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>CCN(CC)C1=NC(C)=C(C=C1)N=C1C2=NN=C(N2N=C1C(C)(C)C)C1=CC=CC(C)=C1</moldb-smiles>
  <moldb-formula>C25H31N7</moldb-formula>
  <moldb-inchi>InChI=1S/C25H31N7/c1-8-31(9-2)20-14-13-19(17(4)26-20)27-21-22(25(5,6)7)30-32-23(28-29-24(21)32)18-12-10-11-16(3)15-18/h10-15H,8-9H2,1-7H3</moldb-inchi>
  <moldb-inchikey>ODBHPUXWMUDERE-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">429.572</moldb-average-mass>
  <moldb-mono-mass type="decimal">429.264094026</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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 nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM044921</chemdb-id>
  <dsstox-id>DTXSID30571652</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>REACH</stoff-ident-origin>
  <stoff-ident-id>SI00006978</stoff-ident-id>
  <susdat-id>NS00002484</susdat-id>
  <iupac>N5-[6-tert-butyl-3-(3-methylphenyl)-7H-pyrazolo[3,2-c][1,2,4]triazol-7-ylidene]-N2,N2-diethyl-6-methylpyridine-2,5-diamine</iupac>
</compound>
