Keyword(s): Human Metabolites
Molecule Category Free-form
UNII BY3226D010
EPA CompTox DTXSID9041528

Structure

InChI Key GPHQHTOMRSGBNZ-UHFFFAOYSA-N
Smiles N#Cc1ccncc1
InChI
InChI=1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H4N2
Molecular Weight 104.04
AlogP 0.95
Hydrogen Bond Acceptor 2.0
Polar Surface Area 36.68
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 100-48-1
NORMAN SUSDAT
FDA SRS BY3226D010
PubChem 7506
ChemSpider 1847.0