<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">312818</id>
  <title nil="true"/>
  <common-name>8-(3,5-dichlorophenyl)-n-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine</common-name>
  <description>8-(3,5-dichlorophenyl)-n-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is a chemical compound with the formula C18H21Cl2N5O2. It has an average molecular weight of 410.30 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>56603766</pubchem-id>
  <chemical-formula>C18H21Cl2N5O2</chemical-formula>
  <weight>410.3</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">2026-08-29T09:31:32Z</created-at>
  <updated-at type="dateTime">2026-08-29T09:31:32Z</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=NN2C(=C1C3=CC(=CC(=C3)Cl)Cl)N=C(N=C2NC(COC)COC)C</moldb-smiles>
  <moldb-formula>C18H21Cl2N5O2</moldb-formula>
  <moldb-inchi>InChI=1S/C18H21Cl2N5O2/c1-10-16(12-5-13(19)7-14(20)6-12)17-21-11(2)22-18(25(17)24-10)23-15(8-26-3)9-27-4/h5-7,15H,8-9H2,1-4H3,(H,21,22,23)</moldb-inchi>
  <moldb-inchikey>RHSNHBGJLLYGNA-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">409.1072303</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.9</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>CHEM308711</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-(3,5-dichlorophenyl)-n-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine</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>Azoles</klass>
  <subklass>Pyrazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0263743</sync-id>
  <structure-inchikey>RHSNHBGJLLYGNA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40040000000000000000800800000200000000040000000000000880000000000200000100000000000000000000022000000008000000000000000000000000000000040000400000000000000000000000000000002100000000000000000000000000000000000040000000100008002100000100000000000000000400000000000040000000000000000200000080800000000000000000100000000000000000000000000000000000080000000000000010000000000000000000000000000800000000000000000000000000000010008000002020001000000000000000000000000001000040000000400180000000080000000008000000000000</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�	
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�������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:19:42Z</structure-indexed-at>
</compound>
