Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MWL7B55ECL
EPA CompTox DTXSID9074856

Structure

InChI Key AHWDQDMGFXRVFB-UHFFFAOYSA-N
Smiles CN1C(=O)N(C)C(N(C1=O)C)=O
InChI
InChI=1S/C6H9N3O3/c1-7-4(10)8(2)6(12)9(3)5(7)11/h1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H9N3O3
Molecular Weight 171.06
AlogP -2.22
Hydrogen Bond Acceptor 6.0
Polar Surface Area 66.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 827-16-7
NORMAN SUSDAT
FDA SRS MWL7B55ECL
PubChem 13225
ChemSpider 12670.0