296458 <common-name>8-butyl-3,8,10,15-tetrazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-9-one</common-name> <description>8-butyl-3,8,10,15-tetrazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-9-one belongs to the pyridines and derivatives, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C15H16N4O and an average molecular weight of 268.31 g/mol.</description> <cas nil="true"/> <pubchem-id>3072354</pubchem-id> <chemical-formula>C15H16N4O</chemical-formula> <weight>268.31</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">2026-08-28T12:36:31Z</created-at> <updated-at type="dateTime">2026-08-28T12:36:31Z</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>CCCCN1C2=C(C3=C(C=CC=N3)NC1=O)N=CC=C2</moldb-smiles> <moldb-formula>C15H16N4O</moldb-formula> <moldb-inchi>InChI=1S/C15H16N4O/c1-2-3-10-19-12-7-5-9-17-14(12)13-11(18-15(19)20)6-4-8-16-13/h4-9H,2-3,10H2,1H3,(H,18,20)</moldb-inchi> <moldb-inchikey>DNEGGLCNZYTOIV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">268.1324112</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.6</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>CHEM292351</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>8-butyl-3,8,10,15-tetrazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-9-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>Pyridines and derivatives</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0247859</sync-id> <structure-inchikey>DNEGGLCNZYTOIV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>c00000000000000000000000000000000000000200000000000002000020100000000000002000000001000000008000000000000000000040000000001000090000000000000020000020000000000000000000000010000020000000000000000000000000000000000100000000000000800000000000100048000000800000200000004000000000000000000000000000000000000100000000000000000000080000000000000000080002000000000000000000000000000000000000000000010000000000000000000000000200000000000000000000000000002040200000010000000000000000020000000000000000</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�B���������� �� ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:07:40Z</structure-indexed-at> </compound>