Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0356MAT9LX
EPA CompTox DTXSID3062362

Structure

InChI Key YJMNLDSYAAJOPX-UHFFFAOYSA-N
Smiles Nc1nc(=S)nc2[nH][nH]cc12
InChI
InChI=1S/C5H5N5S/c6-3-2-1-7-10-4(2)9-5(11)8-3/h1H,(H4,6,7,8,9,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5N5S1
Molecular Weight 167.03
AlogP 0.01
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Polar Surface Area 81.21
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 2380-63-4
NORMAN SUSDAT
FDA SRS 0356MAT9LX
PubChem 1268262
ChemSpider 67952.0