Keyword(s): Human Metabolites
Molecule Category Free-form
UNII G22VBQ3QPY
EPA CompTox DTXSID0074710

Structure

InChI Key XZGLNCKSNVGDNX-UHFFFAOYSA-N
Smiles Cc1n[nH]nn1
InChI
InChI=1S/C2H4N4/c1-2-3-5-6-4-2/h1H3,(H,3,4,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H4N4
Molecular Weight 84.04
AlogP -0.49
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 54.46
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 4076-36-2
NORMAN SUSDAT
FDA SRS G22VBQ3QPY
PubChem 138107
ChemSpider 11977.0