Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FR001FJW89
EPA CompTox DTXSID3061396

Structure

InChI Key SYEYEGBZVSWYPK-UHFFFAOYSA-N
Smiles [O-]S(=O)(=O)[O-].Nc1nc(=O)c(N)c(N)[nH]1
InChI
InChI=1S/C4H7N5O/c5-1-2(6)8-4(7)9-3(1)10/h5H2,(H5,6,7,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7N5O1
Molecular Weight 141.07
AlogP -1.24
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 5.0
Polar Surface Area 124.8
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1004-75-7
NORMAN SUSDAT
FDA SRS FR001FJW89
PubChem 70488
ChemSpider 63663.0