Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20227459

Structure

InChI Key HVHHQHTXTGUMSR-UHFFFAOYSA-N
Smiles CN(C)c1nnc(c(=O)n1C)C(C)(C)C
InChI
InChI=1S/C10H18N4O/c1-10(2,3)7-8(15)14(6)9(12-11-7)13(4)5/h1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18N4O1
Molecular Weight 210.15
AlogP 0.54
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 51.02
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 76636-10-7
NORMAN SUSDAT
PubChem 11970642
ChemSpider 10144025.0