EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:18920 - 1,3-dinitro-1,2,3,4-tetrahydro-1,3,5-triazine

ChEBI IDCHEBI:18920
ChEBI Name1,3-dinitro-1,2,3,4-tetrahydro-1,3,5-triazine
Stars
Last Modified27 April 2007
DownloadsMolfile
FormulaC3H5N5O4
Net Charge0
Average Mass175.104
Monoisotopic Mass175.03415
SMILESO=[N+]([O-])N1C=NCN([N+](=O)[O-])C1
InChIInChI=1S/C3H5N5O4/c9-7(10)5-1-4-2-6(3-5)8(11)12/h1H,2-3H2
InChIKeyVYWPLBFUPOGEQG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1,3-dinitro-1,2,3,4-tetrahydro-1,3,5-triazine (CHEBI:18920) is a nitro-1,3,5-triazine (CHEBI:38171)
IUPAC Name 
1,3-dinitro-1,2,3,4-tetrahydro-1,3,5-triazine
Manual XrefsDatabases
c0793UM-BBD
Registry NumbersSources
Beilstein:795549Beilstein