Keyword(s): Human Metabolites
Molecule Category Free-form
UNII N4HG7T2QGW
EPA CompTox DTXSID70199859

Structure

InChI Key LPHGQDQBBGAPDZ-UHFFFAOYSA-N
Smiles Cn1cnc2c1n(C)c(=O)n(C)c2=O
InChI
InChI=1S/C8H10N4O2/c1-10-4-9-5-6(10)11(2)8(14)12(3)7(5)13/h4H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10N4O2
Molecular Weight 194.08
AlogP -1.03
Hydrogen Bond Acceptor 6.0
Polar Surface Area 61.82
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 519-32-4
NORMAN SUSDAT
FDA SRS N4HG7T2QGW
PubChem 1326
ChemSpider 1286.0