Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7L7289019S
EPA CompTox DTXSID70239406

Structure

InChI Key WFRXSXUDWCVSPI-UHFFFAOYSA-N
Smiles Nc1ccc2nc[nH]c2c1
InChI
InChI=1S/C7H7N3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2,(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7N3
Molecular Weight 133.06
AlogP 1.15
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 54.7
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 934-22-5
NORMAN SUSDAT
FDA SRS 7L7289019S
PubChem 13623
ChemSpider 13034.0