Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L9V7LC4LHZ
EPA CompTox DTXSID6061107

Structure

InChI Key MVHONLHZERWNRF-UHFFFAOYSA-N
Smiles Cc1nc(=O)cc(N)[nH]1
InChI
InChI=1S/C5H7N3O/c1-3-7-4(6)2-5(9)8-3/h2H,1H3,(H3,6,7,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7N3O1
Molecular Weight 125.06
AlogP 0.07
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Polar Surface Area 72.03
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 767-16-8
NORMAN SUSDAT
FDA SRS L9V7LC4LHZ
PubChem 69844
ChemSpider 63041.0