326081 <common-name>3-(4-methoxyphenyl)-7-pyrrolidin-1-yl-[1,2,4]triazino[3,4-a]phthalazin-4-one</common-name> <description>3-(4-methoxyphenyl)-7-pyrrolidin-1-yl-[1,2,4]triazino[3,4-a]phthalazin-4-one is a chemical compound with the formula C21H19N5O2. It has an average molecular weight of 373.40 g/mol.</description> <cas>126650-80-4</cas> <pubchem-id>3079898</pubchem-id> <chemical-formula>C21H19N5O2</chemical-formula> <weight>373.4</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">2026-08-30T04:07:58Z</created-at> <updated-at type="dateTime">2026-08-30T04:07:58Z</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>COC1=CC=C(C=C1)C2=NN=C3C4=CC=CC=C4C(=NN3C2=O)N5CCCC5</moldb-smiles> <moldb-formula>C21H19N5O2</moldb-formula> <moldb-inchi>InChI=1S/C21H19N5O2/c1-28-15-10-8-14(9-11-15)18-21(27)26-19(23-22-18)16-6-2-3-7-17(16)20(24-26)25-12-4-5-13-25/h2-3,6-11H,4-5,12-13H2,1H3</moldb-inchi> <moldb-inchikey>HKUXKNGEGBCPAT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">373.1538749</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.8</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>CHEM321974</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-methoxyphenyl)-7-pyrrolidin-1-yl-[1,2,4]triazino[3,4-a]phthalazin-4-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>Diazanaphthalenes</klass> <subklass>Benzodiazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0276706</sync-id> <structure-inchikey>HKUXKNGEGBCPAT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>10200000000000000000000000000000000000000000000020300000000020002000100128000000000000010002000080000000000000000000000000000000000020000000800180000200000000000000040000000000010040000000000000802000020100000000000000000000000800000040000000800000000000000000880000000100000000000000000000000000000000000000040000080000000000000000000000808000000000200080000000040000000000000000000020000000008000000000000200000000000000000008000000000040000000000000000000080000000002000000000000</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���h���(��� ��������������h���h���h���h����B������������ ����� ����������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:29:50Z</structure-indexed-at> </compound>