Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key GGZRCTWHSWYCFR-UHFFFAOYSA-N
Smiles Nc1ncc(C(O)=O)c(N)n1
InChI
InChI=1S/C5H6N4O2/c6-3-2(4(10)11)1-8-5(7)9-3/h1H,(H,10,11)(H4,6,7,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H6N4O2
Molecular Weight 154.05
AlogP -1.0
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 116.58
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 18588-61-9
NORMAN SUSDAT
PubChem 222670
ChemSpider 193330.0