Structure

InChI Key LRFVTYWOQMYALW-UHFFFAOYSA-N
Smiles O=c1[nH]c2nc[nH]c2c(=O)[nH]1
InChI
InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H4N4O2
Molecular Weight 152.03
AlogP -0.24
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Polar Surface Area 94.92
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 69-89-6
NORMAN SUSDAT
FDA SRS 1AVZ07U9S7
PubChem 1188
ChemSpider 1151.0