Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30944625

Structure

InChI Key LWVDEWOJWRWINH-UHFFFAOYSA-N
Smiles O=C(OC1=CC(=NN1C(=O)N(C)C)C)N(C)C
InChI
InChI=1/C10H16N4O3/c1-7-6-8(17-10(16)13(4)5)14(11-7)9(15)12(2)3/h6H,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16N4O3
Molecular Weight 240.12
AlogP 0.78
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 67.67
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 22021-66-5
NORMAN SUSDAT
PubChem 89153