<?xml version="1.0" encoding="UTF-8"?>
<compound>
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  <title nil="true"/>
  <common-name>8-chloro-3-methyl-6-phenyl-[1,2,4]triazolo[3,4-a]phthalazine</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3071240</pubchem-id>
  <chemical-formula>C16H11ClN4</chemical-formula>
  <weight>294.74</weight>
  <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">2026-08-28T16:21:57Z</created-at>
  <updated-at type="dateTime">2026-08-28T16:21:57Z</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>CC1=NN=C2N1N=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4</moldb-smiles>
  <moldb-formula>C16H11ClN4</moldb-formula>
  <moldb-inchi>InChI=1S/C16H11ClN4/c1-10-18-19-16-13-8-7-12(17)9-14(13)15(20-21(10)16)11-5-3-2-4-6-11/h2-9H,1H3</moldb-inchi>
  <moldb-inchikey>PJVWRMUQRMLWBF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
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  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.7</logp>
  <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>CHEM295605</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>8-chloro-3-methyl-6-phenyl-[1,2,4]triazolo[3,4-a]phthalazine</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Diazanaphthalenes</klass>
  <subklass>Benzodiazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0251002</sync-id>
  <structure-inchikey>PJVWRMUQRMLWBF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000800200000000000000000000001000000000000020040000080000000000000500020200000000000000004000020000000000000000000000000000000000000080000000000000000000800000000000001000000020040001000000000000000000000000000000c0000000800000000000000000880000000100000000000000000000000200000000000000040000080000000000000000000000000000000000000000000000000000000000000000000020000010008000002004000200000008000000000000000000000040000000000000000000080000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@(������@(������@(������@(������@(������@(������@(������@h�������@h�������@(������@h�������� �����@(������@h�������@h�������@h�������@h�������@h������������h���h���h���h���h���h���h��	h�	
h�
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���	�����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:09:59Z</structure-indexed-at>
</compound>
