Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GU48C6581I
EPA CompTox DTXSID0020527

Structure

InChI Key WNSYEWGYAFFSSQ-UHFFFAOYSA-N
Smiles O=NN1CCN(CC1)N=O
InChI
InChI=1S/C4H8N4O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8N4O2
Molecular Weight 144.06
AlogP -0.03
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 65.34
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 140-79-4
NORMAN SUSDAT
FDA SRS GU48C6581I
PubChem 8819
ChemSpider 8488.0