Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RUF459I8KS
EPA CompTox DTXSID9021059

Structure

InChI Key CVTIZMOISGMZRJ-UHFFFAOYSA-N
Smiles O=NN1CCNCC1
InChI
InChI=1S/C4H9N3O/c8-6-7-3-1-5-2-4-7/h5H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9N3O1
Molecular Weight 115.07
AlogP -0.43
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 44.7
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 5632-47-3
NORMAN SUSDAT
FDA SRS RUF459I8KS
PubChem 21845
ChemSpider 20531.0