Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00955485

Structure

InChI Key PGZUFTROELAOMP-UHFFFAOYSA-N
Smiles N#CC1NC1
InChI
InChI=1/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4N2
Molecular Weight 68.04
AlogP -0.52
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 45.73
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 33898-53-2
NORMAN SUSDAT
PubChem 118115