Keyword(s): Human Metabolites
Molecule Category Free-form
UNII A6GN3JB7H4
EPA CompTox DTXSID7074292

Structure

InChI Key VZXTWGWHSMCWGA-UHFFFAOYSA-N
Smiles Nc1nc(N)ncn1
InChI
InChI=1S/C3H5N5/c4-2-6-1-7-3(5)8-2/h1H,(H4,4,5,6,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H5N5
Molecular Weight 111.05
AlogP -1.3
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 4.0
Polar Surface Area 92.17
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 504-08-5
NORMAN SUSDAT
FDA SRS A6GN3JB7H4
PubChem 10435
ChemSpider 10005.0