Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WHF7883D0V
EPA CompTox DTXSID4064058

Structure

InChI Key OXQOBQJCDNLAPO-UHFFFAOYSA-N
Smiles Cc1nccnc1C
InChI
InChI=1S/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8N2
Molecular Weight 108.07
AlogP 1.09
Hydrogen Bond Acceptor 2.0
Polar Surface Area 25.78
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 5910-89-4
NORMAN SUSDAT
FDA SRS WHF7883D0V
PubChem 22201
ChemSpider 3249.0