Keyword(s): Human Metabolites
Molecule Category Free-form
UNII BTB7URA7K8
EPA CompTox DTXSID00171229

Structure

InChI Key JVVRJMXHNUAPHW-UHFFFAOYSA-N
Smiles Nc1ccn[nH]1
InChI
InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H5N3
Molecular Weight 83.05
AlogP -0.18
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 3.0
Polar Surface Area 55.43
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 1820-80-0
NORMAN SUSDAT
FDA SRS BTB7URA7K8
PubChem 74561
ChemSpider 67140.0