Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID0075239

Structure

InChI Key FPIRBHDGWMWJEP-UHFFFAOYSA-N
Smiles On1nnc2c1nccc2
InChI
InChI=1S/C5H4N4O/c10-9-5-4(7-8-9)2-1-3-6-5/h1-3,10H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H4N4O1
Molecular Weight 136.04
AlogP 0.06
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Polar Surface Area 63.83
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 39968-33-7
NORMAN SUSDAT
PubChem 181649
ChemSpider 158005.0