279937 <common-name>Ethyl 2-cyano-2-(6,8-dioxo-5h-pyrimido[4,5-e][1,2,4]triazin-3-yl)acetate</common-name> <description>Ethyl 2-cyano-2-(6,8-dioxo-5h-pyrimido[4,5-e][1,2,4]triazin-3-yl)acetate belongs to the pyrimidines and pyrimidine derivatives, a subclass of diazines within the organic compounds. It is an organoheterocyclic compound with the formula C10H8N6O4 and an average molecular weight of 276.21 g/mol.</description> <cas>80761-67-7</cas> <pubchem-id>5746931</pubchem-id> <chemical-formula>C10H8N6O4</chemical-formula> <weight>276.21</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">2026-08-26T19:53:13Z</created-at> <updated-at type="dateTime">2026-08-26T19:53:13Z</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>CCOC(=O)C(C#N)C1=NC2=C(C(=O)NC(=O)N2)N=N1</moldb-smiles> <moldb-formula>C10H8N6O4</moldb-formula> <moldb-inchi>InChI=1S/C10H8N6O4/c1-2-20-9(18)4(3-11)6-12-7-5(15-16-6)8(17)14-10(19)13-7/h4H,2H2,1H3,(H2,12,13,14,16,17,19)</moldb-inchi> <moldb-inchikey>QHGNJLJFLSMZMG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">276.0607028</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-1.4</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>CHEM275830</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>Ethyl 2-cyano-2-(6,8-dioxo-5h-pyrimido[4,5-e][1,2,4]triazin-3-yl)acetate</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>Diazines</klass> <subklass>Pyrimidines and pyrimidine derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0231981</sync-id> <structure-inchikey>QHGNJLJFLSMZMG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000100000000100000800000000000200010000000000000000000000000000000000002000020000000001000002002000000000000000000000000000000000000000000000000000000000000400020000020000100000000000002000080000200010080000000000000000000000000800000002000000004000000000000000040000000000000200000000080080000000000000000020000000000000000000000000000000040088000000000000000000000000200000000000000000000000000000000008000020000000000000000002800004000000000000000002020000001000000000000000400000000000000000000080000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������(�������`�������(�������(������@(������@(������@(������@(������@(�������(������@8�������@(�������(������@8�������@(������@(�������������� ��(��������������� h� h� �h���h�� (���h���h���(���h���h���h���h�� h�B��������� ����� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:55:08Z</structure-indexed-at> </compound>