313045 <common-name>3-[4-(dimethylamino)phenyl]-9-methyl-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one</common-name> <description>3-[4-(dimethylamino)phenyl]-9-methyl-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one is a chemical compound with the formula C18H21N7O. It has an average molecular weight of 351.40 g/mol.</description> <cas>135445-89-5</cas> <pubchem-id>3077740</pubchem-id> <chemical-formula>C18H21N7O</chemical-formula> <weight>351.4</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">2026-08-29T09:46:31Z</created-at> <updated-at type="dateTime">2026-08-29T09:46:31Z</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>CCCN1C2=C(C3=NN=C(N3C1=O)C4=CC=C(C=C4)N(C)C)N(C=N2)C</moldb-smiles> <moldb-formula>C18H21N7O</moldb-formula> <moldb-inchi>InChI=1S/C18H21N7O/c1-5-10-24-16-14(23(4)11-19-16)17-21-20-15(25(17)18(24)26)12-6-8-13(9-7-12)22(2)3/h6-9,11H,5,10H2,1-4H3</moldb-inchi> <moldb-inchikey>SQNUOVPGJDNRLC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">351.1807583</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.8</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>CHEM308938</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>3-[4-(dimethylamino)phenyl]-9-methyl-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one</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>Triazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0263967</sync-id> <structure-inchikey>SQNUOVPGJDNRLC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000000000000000000000000000000000000000000200002000000000008000200000000000000000010100000020000040000000080000000000000000000000002000000000000000000000c000000010000020200008000000000000004100800000000900000080000000000000000000000040000000008000000000004000980000002010000000000000000000000000000000000000000000180000004000000080080000000000000804000000000000000000000000000000000020000000008800002000000200000000000000000000000000000040800000000000000000000000040000000000000000</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���h��� ��������h���h���h������h���h� �h�� h�B������� ������ ������� ����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:19:52Z</structure-indexed-at> </compound>