291648 <common-name>Ethyl 2-cyano-2-[(6e)-6-(1-cyano-2-ethoxy-2-oxoethylidene)-4-methoxy-1h-1,3,5-triazin-2-yl]acetate</common-name> <description>Ethyl 2-cyano-2-[(6e)-6-(1-cyano-2-ethoxy-2-oxoethylidene)-4-methoxy-1h-1,3,5-triazin-2-yl]acetate belongs to the 1,3,5-triazines, a subclass of triazines within the organic compounds. This organoheterocyclic compound has the formula C14H15N5O5 and an average molecular weight of 333.30 g/mol.</description> <cas>77854-52-5</cas> <pubchem-id>5746483</pubchem-id> <chemical-formula>C14H15N5O5</chemical-formula> <weight>333.3</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">2026-08-28T06:46:48Z</created-at> <updated-at type="dateTime">2026-08-28T06:46:48Z</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=NC(=NC(=C(C#N)C(=O)OCC)N1)OC</moldb-smiles> <moldb-formula>C14H15N5O5</moldb-formula> <moldb-inchi>InChI=1S/C14H15N5O5/c1-4-23-12(20)8(6-15)10-17-11(19-14(18-10)22-3)9(7-16)13(21)24-5-2/h8H,4-5H2,1-3H3,(H,17,18,19)/b11-9+</moldb-inchi> <moldb-inchikey>MZDKUBRXPHUTES-PKNBQFBNSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">333.1073186</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.4</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>CHEM287541</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-[(6e)-6-(1-cyano-2-ethoxy-2-oxoethylidene)-4-methoxy-1h-1,3,5-triazin-2-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>Triazines</klass> <subklass>1,3,5-triazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0243220</sync-id> <structure-inchikey>MZDKUBRXPHUTES-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000101000800004000000000010000000000000000000000000000000000002000000000010000000002000004000000000000000000000000000000000000000000000000000000400000420000820004100004000000020000000000200110000000040000000000000000000010000002000000000000000000000000048000020000000200000000000000000000000000000020000000000000000000000000000000840088000000000000000000000000000000008000080000000000000000040000000000000000000000000002000000000000000000000012020000000000000000000000600000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������(�������`�������(�������(�������(�������(�������(�������(�������(�������(�������(�������(�������(�������(�������(�������`�������`�������h��������(�������`�������������� ��(��������������� (� �(��� � (� � ��(� � ��(��� �������� � ����� B��������� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:03:58Z</structure-indexed-at> </compound>