Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ERM88DT3XD
EPA CompTox DTXSID50206313

Structure

InChI Key IHQOUXBCYBOOKX-UHFFFAOYSA-N
Smiles C1CN(CCO1)n1cnnc1
InChI
InChI=1S/C6H10N4O/c1-3-11-4-2-9(1)10-5-7-8-6-10/h5-6H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10N4O1
Molecular Weight 154.09
AlogP -0.75
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 43.18
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 57634-67-0
NORMAN SUSDAT
FDA SRS ERM88DT3XD
PubChem 93745
ChemSpider 84617.0