320874 <common-name>4-(7-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzonitrile</common-name> <description>4-(7-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzonitrile is a chemical compound with the formula C20H16N6. It has an average molecular weight of 340.40 g/mol.</description> <cas>87540-05-4</cas> <pubchem-id>55722</pubchem-id> <chemical-formula>C20H16N6</chemical-formula> <weight>340.4</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">2026-08-29T20:01:46Z</created-at> <updated-at type="dateTime">2026-08-29T20:01:46Z</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>C1CCN(C1)C2=CC=CC3=C2C=NN4C3=NN=C4C5=CC=C(C=C5)C#N</moldb-smiles> <moldb-formula>C20H16N6</moldb-formula> <moldb-inchi>InChI=1S/C20H16N6/c21-12-14-6-8-15(9-7-14)19-23-24-20-16-4-3-5-18(25-10-1-2-11-25)17(16)13-22-26(19)20/h3-9,13H,1-2,10-11H2</moldb-inchi> <moldb-inchikey>USXONRHOMIBRPS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">340.1436445</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</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>CHEM316767</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>4-(7-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzonitrile</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>CED0271603</sync-id> <structure-inchikey>USXONRHOMIBRPS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>201000000000000002000000000000000000000000000000010000000000000000004000000000000000002000000108000000000000000002200000000000000000000000000000000000000000000020800000000000000000000000000200080000000000000000000000802000020100000000000000000000000801000000000000800000000000800000880000000000000000000000000000000100000000000000040000088000010000000000000000018000000800000100000000040004000000000000010120000100008000002000000200000000000000000000000000000040000000000000000000200000000002000000000000</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�B�������������� ���� � ��� �������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:25:53Z</structure-indexed-at> </compound>