Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0G66R1H4RW
EPA CompTox DTXSID70163474

Structure

InChI Key FNXYWHTZDAVRTB-UHFFFAOYSA-N
Smiles Cc1noc(N)c1
InChI
InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6N2O1
Molecular Weight 98.05
AlogP 0.57
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 52.05
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 14678-02-5
NORMAN SUSDAT
FDA SRS 0G66R1H4RW
PubChem 84590
ChemSpider 38572.0