Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZF80H5GXUF
EPA CompTox DTXSID0020076

Structure

InChI Key KLSJWNVTNUYHDU-UHFFFAOYSA-N
Smiles Nc1[nH]ncn1
InChI
InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H4N4
Molecular Weight 84.04
AlogP -0.78
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 3.0
Polar Surface Area 68.32
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 61-82-5
NORMAN SUSDAT
FDA SRS ZF80H5GXUF
PubChem 1639
ChemSpider 1577.0