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

Structure

InChI Key WUULEPWXSYAKLV-UHFFFAOYSA-N
Smiles N.O=C1NC(=O)C2=C(N1)NC(=O)N2;O=C1NC(=O)C2=C(N1)NC(=O)N2
InChI
InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h2H,(H,7,11)(H2,8,9,10,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H4N4O3
Molecular Weight 168.03
AlogP -0.64
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Polar Surface Area 106.64
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 6009-66-1
NORMAN SUSDAT