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

Structure

InChI Key BVZPBJHXLZKTKX-UHFFFAOYSA-N
Smiles CCOC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C5H9N5O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H4,6,7,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9N5O1
Molecular Weight 155.08
AlogP -0.9
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 101.4
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 2827-44-3
NORMAN SUSDAT