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

Structure

InChI Key UVODKQNEOJXKPD-UHFFFAOYSA-N
Smiles O=C1NC(C(=O)NN)CC1
InChI
InChI=1/C5H9N3O2/c6-8-5(10)3-1-2-4(9)7-3/h3H,1-2,6H2,(H,7,9)(H,8,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9N3O2
Molecular Weight 143.07
AlogP -0.06
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 91.2
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 934-06-5
NORMAN SUSDAT
PubChem 102523