284868 <common-name>2-[(e)-1-(1-methyl-2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)propan-2-ylideneamino]-1-nitroguanidine</common-name> <description>2-[(e)-1-(1-methyl-2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)propan-2-ylideneamino]-1-nitroguanidine belongs to the pyrimidines and pyrimidine derivatives, a subclass of diazines within the organic compounds. This organoheterocyclic compound has the formula C12H17N7O5 and an average molecular weight of 339.31 g/mol.</description> <cas nil="true"/> <pubchem-id>129626835</pubchem-id> <chemical-formula>C12H17N7O5</chemical-formula> <weight>339.31</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">2026-08-27T20:30:28Z</created-at> <updated-at type="dateTime">2026-08-27T20:30:28Z</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>CC(=NN=C(N)N[N+](=O)[O-])CC1(C(=O)NC(=O)N(C1=O)C)CC=C</moldb-smiles> <moldb-formula>C12H17N7O5</moldb-formula> <moldb-inchi>InChI=1S/C12H17N7O5/c1-4-5-12(8(20)14-11(22)18(3)9(12)21)6-7(2)15-16-10(13)17-19(23)24/h4H,1,5-6H2,2-3H3,(H3,13,16,17)(H,14,20,22)/b15-7+</moldb-inchi> <moldb-inchikey>ZDTXNJDANPFCKW-VIZOYTHASA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">339.1291167</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.7</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>CHEM280761</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-[(e)-1-(1-methyl-2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)propan-2-ylideneamino]-1-nitroguanidine</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>CED0236714</sync-id> <structure-inchikey>ZDTXNJDANPFCKW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000800200000000000001000880000010000000000000020040000000000000000000000002000000000000000000000000000000000000000000000000004000020000000004200005004000100400000100000010000000200000000000000044000000108000000000c10000000400000000048000000000800200000004080001000000000000000000000000800000000000800000000001200080000000000000000810000000000000000000000000000000000000000000000040000000000000000000000000000000000000000020000000080000000000000000000000000001000001000000000000000</structure-fingerprint> 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