Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII S9X3PXT9NC
EPA CompTox DTXSID0046517

Structure

InChI Key RBZRMBCLZMEYEH-UHFFFAOYSA-N
Smiles Cl.NC(=N)N1C=CC=N1
InChI
InChI=1S/C4H6N4/c5-4(6)8-3-1-2-7-8/h1-3H,(H3,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6N4
Molecular Weight 110.06
AlogP -0.38
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Polar Surface Area 67.69
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 4023-02-3
NORMAN SUSDAT
FDA SRS S9X3PXT9NC
ChemSpider 7673.0