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

Structure

InChI Key TZYQTWHRLVDYPL-UHFFFAOYSA-N
Smiles O=C1CC=NC=N1
InChI
InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h2-3H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4N2O1
Molecular Weight 96.03
AlogP 0.02
Hydrogen Bond Acceptor 2.0
Polar Surface Area 41.79
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 51953-17-4
NORMAN SUSDAT