Keyword(s): Human Metabolites
Molecule Category Free-form
UNII D34J7PAT68
EPA CompTox DTXSID5075280

Structure

InChI Key KJUGUADJHNHALS-UHFFFAOYSA-N
Smiles N=1N=CNN1
InChI
InChI=1/CH2N4/c1-2-4-5-3-1/h1H,(H,2,3,4,5)

Physicochemical Descriptors

Property Name Value
Molecular Formula CH2N4
Molecular Weight 70.03
AlogP -0.8
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 54.46
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 288-94-8
NORMAN SUSDAT
FDA SRS D34J7PAT68
PubChem 67519