Keyword(s): Human Metabolites
Molecule Category Free-form
UNII PKK6MUZ20G
EPA CompTox DTXSID0020810

Structure

InChI Key GLVAUDGFNGKCSF-UHFFFAOYSA-N
Smiles S=c1nc[nH]c2nc[nH]c12
InChI
InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H4N4S1
Molecular Weight 152.02
AlogP 0.64
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Polar Surface Area 54.46
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 50-44-2
NORMAN SUSDAT
FDA SRS PKK6MUZ20G
PubChem 667490
ChemSpider 580869.0