342550 <common-name>6-pyrrolidin-1-yl-3-(2,4,5-triethoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine</common-name> <description>6-pyrrolidin-1-yl-3-(2,4,5-triethoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine is a chemical compound with the formula C25H29N5O3. It has an average molecular weight of 447.50 g/mol.</description> <cas>87540-16-7</cas> <pubchem-id>3071208</pubchem-id> <chemical-formula>C25H29N5O3</chemical-formula> <weight>447.5</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">2026-08-31T03:31:35Z</created-at> <updated-at type="dateTime">2026-08-31T03:31:35Z</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>CCOC1=CC(=C(C=C1C2=NN=C3N2N=C(C4=CC=CC=C43)N5CCCC5)OCC)OCC</moldb-smiles> <moldb-formula>C25H29N5O3</moldb-formula> <moldb-inchi>InChI=1S/C25H29N5O3/c1-4-31-20-16-22(33-6-3)21(32-5-2)15-19(20)24-27-26-23-17-11-7-8-12-18(17)25(28-30(23)24)29-13-9-10-14-29/h7-8,11-12,15-16H,4-6,9-10,13-14H2,1-3H3</moldb-inchi> <moldb-inchikey>MOSZEQVQHKRMAC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">447.2270398</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.6</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>CHEM338443</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>6-pyrrolidin-1-yl-3-(2,4,5-triethoxyphenyl)-[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>CED0292939</sync-id> <structure-inchikey>MOSZEQVQHKRMAC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000200000001000000000000000000400000000000002000000000000008000002000100108004000000000000002000000000000000000000000000000000000000000000000800108000000000018000000000000000000000000000000100000002000020100000000000000000000000800000040000000800000000000000000080000000100000000020000000000000000000000000000040000080000000000040000080000808000000800200000000000040000000000000000000020000000008000002000000200000000000000000048000000000040000000000000000000080020000002000000100000</structure-fingerprint> 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