Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8PXS99XG8P
EPA CompTox DTXSID80167529

Structure

InChI Key MXDRPNGTQDRKQM-UHFFFAOYSA-N
Smiles CC1=CC=CN=N1
InChI
InChI=1S/C5H6N2/c1-5-3-2-4-6-7-5/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 1632-76-4
NORMAN SUSDAT
FDA SRS 8PXS99XG8P
PubChem 74208
ChemSpider 66816.0