Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 69JE8P2L84
EPA CompTox DTXSID9047461

Structure

InChI Key CUYKNJBYIJFRCU-UHFFFAOYSA-N
Smiles Nc1cccnc1
InChI
InChI=1S/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H6N2
Molecular Weight 94.05
AlogP 0.66
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 38.91
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 462-08-8
NORMAN SUSDAT
FDA SRS 69JE8P2L84
PubChem 10009
ChemSpider 21111768.0