310015 <common-name>2-(1,3-benzodioxol-5-yl)-6-(4-nitrophenyl)-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione</common-name> <description>2-(1,3-benzodioxol-5-yl)-6-(4-nitrophenyl)-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione is a chemical compound with the formula C17H9N5O6S. It has an average molecular weight of 411.40 g/mol.</description> <cas>125766-51-0</cas> <pubchem-id>3079466</pubchem-id> <chemical-formula>C17H9N5O6S</chemical-formula> <weight>411.4</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">2026-08-29T04:49:56Z</created-at> <updated-at type="dateTime">2026-08-29T04:49:56Z</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>C1OC2=C(O1)C=C(C=C2)C3=NN4C(=NC(=O)N(C4=O)C5=CC=C(C=C5)[N+](=O)[O-])S3</moldb-smiles> <moldb-formula>C17H9N5O6S</moldb-formula> <moldb-inchi>InChI=1S/C17H9N5O6S/c23-15-18-16-21(17(24)20(15)10-2-4-11(5-3-10)22(25)26)19-14(29-16)9-1-6-12-13(7-9)28-8-27-12/h1-7H,8H2</moldb-inchi> <moldb-inchikey>PPCKUTCHDDGDPB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">411.0273542</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.1</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>CHEM305908</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>2-(1,3-benzodioxol-5-yl)-6-(4-nitrophenyl)-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione</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>Benzodioxoles</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0260999</sync-id> <structure-inchikey>PPCKUTCHDDGDPB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20800000000004082000000000a000000000000000004000000000000000000020040000000000002080000008000000400000000000000000000000000000000000000000000000000020800010000000001000002000400050000000000000000200000000100000800000020100000000000000000000000010000000000000000000000000000000800000001000000000000000000020000000000000000004000000080000000000000000000000000000000000000000000000000000000040000002010000004000000000000000000200000000000080420040000001010040010000400400020000081000000040000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ��������������������!���€���`�������(������@(������@(�������(������@h�������@(������@h�������@h�������@(������@(������@(������@(������@(������@(�������(������@(������@(�������(������@(������@h�������@h�������@(������@h�������@h������� *��������(������ *���ÿ���@(����������� ��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">2026-09-19T05:17:31Z</structure-indexed-at> </compound>