Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00241012

Structure

InChI Key WFLQGXOIDGIFBA-UHFFFAOYSA-N
Smiles Nc1cncc(N)c1O
InChI
InChI=1S/C5H7N3O/c6-3-1-8-2-4(7)5(3)9/h1-2H,6-7H2,(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7N3O1
Molecular Weight 125.06
AlogP -0.46
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Polar Surface Area 84.9
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 94201-57-7
NORMAN SUSDAT
PubChem 3023994
ChemSpider 2290024.0