Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SCQ4EZQ113
EPA CompTox DTXSID5040964

Structure

InChI Key HAMNKKUPIHEESI-UHFFFAOYSA-N
Smiles C(=NN)(N)N
InChI
InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)

Physicochemical Descriptors

Property Name Value
Molecular Formula C1H6N4
Molecular Weight 74.06
AlogP -1.66
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 4.0
Polar Surface Area 87.92
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 79-17-4
NORMAN SUSDAT
FDA SRS SCQ4EZQ113
PubChem 2146
ChemSpider 2061.0