Keyword(s): Human Metabolites
Molecule Category Free-form
UNII E8C63N8TWR
EPA CompTox DTXSID0024923

Structure

InChI Key DPZSNGJNFHWQDC-ARJAWSKDSA-N
Smiles N/C(=C(N)/C#N)/C#N
InChI
InChI=1S/C4H4N4/c5-1-3(7)4(8)2-6/h7-8H2/b4-3-

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4N4
Molecular Weight 108.04
AlogP -0.84
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Polar Surface Area 99.62
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 1187-42-4
NORMAN SUSDAT
FDA SRS E8C63N8TWR
PubChem 2723951
ChemSpider 2006128.0