336591 <common-name>3-[4-(dimethylamino)phenyl]-n,n-bis(2-methoxyethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine</common-name> <description>3-[4-(dimethylamino)phenyl]-n,n-bis(2-methoxyethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is a chemical compound with the formula C23H28N6O2. It has an average molecular weight of 420.50 g/mol.</description> <cas>113628-72-1</cas> <pubchem-id>3087239</pubchem-id> <chemical-formula>C23H28N6O2</chemical-formula> <weight>420.5</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">2026-08-30T19:06:58Z</created-at> <updated-at type="dateTime">2026-08-30T19:06:58Z</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>CN(C)C1=CC=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)N(CCOC)CCOC</moldb-smiles> <moldb-formula>C23H28N6O2</moldb-formula> <moldb-inchi>InChI=1S/C23H28N6O2/c1-27(2)18-11-9-17(10-12-18)21-24-25-22-19-7-5-6-8-20(19)23(26-29(21)22)28(13-15-30-3)14-16-31-4/h5-12H,13-16H2,1-4H3</moldb-inchi> <moldb-inchikey>YJLOVTRJTQFBEJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">420.2273742</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</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>CHEM332484</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]-n,n-bis(2-methoxyethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine</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>CED0287052</sync-id> <structure-inchikey>YJLOVTRJTQFBEJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000004820000000000000000001000000000000000000000001002000000000000000000000000002000000009000000000000200002200000000000000000000000000000000000000000000000000100000000004000000000000000000000000040000000004000802000000100000080000000000400000000000040000000808000000000000000980000000100000000000000000000000000000000000000040000180000010400000000000000000000000800000000000000040000000000000000000020000001008800002000000200000000000000000000000000000040000000000000000001080000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAfAAAAIgAAAIABBgBgAAAAAQMHACgAAAAD AwYAYAAAAAEDBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZA aAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEB0AoAAAAAwMHQCgAAAADAwZAKAAA AAMEB0AoAAAAAwMHQCgAAAADAwZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEG QGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAcAKAAAAAMDBgBg AAAAAgIGAGAAAAACAggAIAAAAAIGAGAAAAABAwYAYAAAAAICBgBgAAAAAgII ACAAAAACBgBgAAAAAQMLAAEAAQIAAQMgAwRoDAQFaAwFBmgMBgdoDAcIaAwG CSAJCmgMCgtoDAsMaAwMDWgMDQ5oDA4PaAwPEGgMEBFoDBESaAwSE2gMExRo DBQVaAwPFiAWFwAXGAAYGQAZGgAWGwAbHAAcHQAdHgAIA2gMDQloDBUMaAwV EGgMQgQAAAAGAwgHBgUEBQoJDQwLBg4PEBUMDQYREhMUFRAXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:37:58Z</structure-indexed-at> </compound>