Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID3062362

Structure

InChI Key LHCPRYRLDOSKHK-UHFFFAOYSA-N
Smiles Nc1ncnc2c1cn[nH]2
InChI
InChI=1S/C5H5N5/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H3,6,7,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5N5
Molecular Weight 135.05
AlogP -0.28
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Polar Surface Area 81.21
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 2380-63-4
NORMAN SUSDAT
PubChem 75420
ChemSpider 24022319.0