Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6TR59ZE0M3
EPA CompTox DTXSID20239411

Structure

InChI Key AKRDSDDYNMVKCX-UHFFFAOYSA-N
Smiles Cc1nn(C(=O)N)c(C)c1
InChI
InChI=1S/C6H9N3O/c1-4-3-5(2)9(8-4)6(7)10/h3H,1-2H3,(H2,7,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H9N3O1
Molecular Weight 139.07
AlogP 0.84
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Polar Surface Area 61.9
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 934-48-5
NORMAN SUSDAT
FDA SRS 6TR59ZE0M3
PubChem 70280
ChemSpider 63464.0