Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30970823

Structure

InChI Key JAJGJSALTQUCAJ-UHFFFAOYSA-N
Smiles O=C1N=C(N)NC(=O)C1C
InChI
InChI=1/C5H7N3O2/c1-2-3(9)7-5(6)8-4(2)10/h2H,1H3,(H3,6,7,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7N3O2
Molecular Weight 141.05
AlogP 0.48
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 3.0
Polar Surface Area 89.03
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 55477-35-5
NORMAN SUSDAT