Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 353F2D8L1Z
EPA CompTox DTXSID7044849

Structure

InChI Key WZUUZPAYWFIBDF-UHFFFAOYSA-N
Smiles Nc1nc(=S)[nH][nH]1
InChI
InChI=1S/C2H4N4S/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H4N4S1
Molecular Weight 116.02
AlogP -0.49
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 4.0
Polar Surface Area 68.32
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 16691-43-3
NORMAN SUSDAT
FDA SRS 353F2D8L1Z
PubChem 2723869
ChemSpider 2006054.0