Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZY9PZS7NP5
EPA CompTox DTXSID8074572

Structure

InChI Key LZTSCEYDCZBRCJ-UHFFFAOYSA-N
Smiles Oc1nnc[nH]1
InChI
InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H3N3O1
Molecular Weight 85.03
AlogP -0.49
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Polar Surface Area 61.8
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 930-33-6
NORMAN SUSDAT
FDA SRS ZY9PZS7NP5
PubChem 70253
ChemSpider 63438.0