321448 <common-name>3-(4-methoxyphenyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine</common-name> <description>3-(4-methoxyphenyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine is a chemical compound with the formula C20H19N5O. It has an average molecular weight of 345.40 g/mol.</description> <cas>87540-02-1</cas> <pubchem-id>3071199</pubchem-id> <chemical-formula>C20H19N5O</chemical-formula> <weight>345.4</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">2026-08-29T20:55:51Z</created-at> <updated-at type="dateTime">2026-08-29T20:55:51Z</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=C3N2N=C(C4=CC=CC=C43)N5CCCC5</moldb-smiles> <moldb-formula>C20H19N5O</moldb-formula> <moldb-inchi>InChI=1S/C20H19N5O/c1-26-15-10-8-14(9-11-15)18-21-22-19-16-6-2-3-7-17(16)20(23-25(18)19)24-12-4-5-13-24/h2-3,6-11H,4-5,12-13H2,1H3</moldb-inchi> <moldb-inchikey>XYMLLIYELMKAQS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">345.1589603</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.6</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>CHEM317341</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)-6-pyrrolidin-1-yl-[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>CED0272169</sync-id> <structure-inchikey>XYMLLIYELMKAQS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000001000000000000000000000000000000000000000200000000000002000100108000000000000000002200000000000000000000000000000000000000000000000800100000200000000000000040000000000010040000000000000802000020100000000000000000000000800000040000000800000000000000000880000000100000000000000000000000000000000000000040000080000010000000000000000808000000800200080000000040000000000000000000020000000008000002000000200000000000000000008000000000040000000000000000000080000000002000000000000</structure-fingerprint> 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