Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RU4S6E2G0J
EPA CompTox DTXSID6046715

Structure

InChI Key OYTKINVCDFNREN-UHFFFAOYSA-N
Smiles Nc1c(N)cncc1
InChI
InChI=1S/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7N3
Molecular Weight 109.06
AlogP 0.08
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 3.0
Polar Surface Area 65.66
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 54-96-6
NORMAN SUSDAT
FDA SRS RU4S6E2G0J
PubChem 5918
ChemSpider 5705.0