Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8B5F4CM81E
EPA CompTox DTXSID7052785

Structure

InChI Key JIHQDMXYYFUGFV-UHFFFAOYSA-N
Smiles c1ncncn1
InChI
InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H3N3
Molecular Weight 81.03
AlogP -0.13
Hydrogen Bond Acceptor 3.0
Polar Surface Area 38.67
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 290-87-9
NORMAN SUSDAT
FDA SRS 8B5F4CM81E
PubChem 9262
ChemSpider 8905.0