Keyword(s): Human Metabolites
Molecule Category Free-form
UNII I01TWM5267
EPA CompTox DTXSID0025367

Structure

InChI Key PKWIYNIDEDLDCJ-UHFFFAOYSA-N
Smiles Nc1nc(N)n[nH]1
InChI
InChI=1S/C2H5N5/c3-1-5-2(4)7-6-1/h(H5,3,4,5,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H5N5
Molecular Weight 99.05
AlogP -1.37
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 5.0
Polar Surface Area 95.07
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 1455-77-2
NORMAN SUSDAT
FDA SRS I01TWM5267
PubChem 15078
ChemSpider 14350.0