365095 <common-name>4a-ethoxy-6,8-dimethyl-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione</common-name> <description>4a-ethoxy-6,8-dimethyl-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione is a chemical compound with the formula C9H13N5O4. It has an average molecular weight of 255.23 g/mol.</description> <cas>113458-69-8</cas> <pubchem-id>3087153</pubchem-id> <chemical-formula>C9H13N5O4</chemical-formula> <weight>255.23</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">2026-09-01T15:32:05Z</created-at> <updated-at type="dateTime">2026-09-01T15:32:05Z</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>CCOC12C(=NNC(=O)N1)N(C(=O)N(C2=O)C)C</moldb-smiles> <moldb-formula>C9H13N5O4</moldb-formula> <moldb-inchi>InChI=1S/C9H13N5O4/c1-4-18-9-5(11-12-7(16)10-9)13(2)8(17)14(3)6(9)15/h4H2,1-3H3,(H2,10,12,16)</moldb-inchi> <moldb-inchikey>XZIGFXBWLGVKAK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">255.0967539</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-1.3</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>CHEM360988</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>4a-ethoxy-6,8-dimethyl-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione</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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0315055</sync-id> <structure-inchikey>XZIGFXBWLGVKAK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800800040000000000000000000000000000000000010000000002000020000000000800002400000000000000000000000000010000000000000000000200000000000000200020000000000100000000000000000000000000000000000000800000000800010000000100000000000010000800000000000048000000000000200000004000000800000000000000020000000000000000000000000000000000080000000000000000000000000004000000000000400000000000000000000000000000010000000000000000000000000000000200000000000004000000000000010000000001000002000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������ ������(�������(�������h��������(�������(�������h��������(�������(�������(�������(�������(�������(�������`�������`��������������������(��� �� ��(�� � � ��(�� � ��(� �� �� �����B�������� ��� � �������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:01:16Z</structure-indexed-at> </compound>