Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RVC6500U9C
EPA CompTox DTXSID4047620

Structure

InChI Key CAWHJQAVHZEVTJ-UHFFFAOYSA-N
Smiles Cc1cnccn1
InChI
InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H6N2
Molecular Weight 94.05
AlogP 0.79
Hydrogen Bond Acceptor 2.0
Polar Surface Area 25.78
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 109-08-0
NORMAN SUSDAT
FDA SRS RVC6500U9C
PubChem 7976
ChemSpider 577.0