Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RUG9Z2LZGB
EPA CompTox DTXSID70177576

Structure

InChI Key YSWBFLWKAIRHEI-UHFFFAOYSA-N
Smiles Cc1c(C)nc[nH]1
InChI
InChI=1S/C5H8N2/c1-4-5(2)7-3-6-4/h3H,1-2H3,(H,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H8N2
Molecular Weight 96.07
AlogP 1.03
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 28.68
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 2302-39-8
NORMAN SUSDAT
FDA SRS RUG9Z2LZGB
PubChem 75306
ChemSpider 67848.0