Keyword(s): Human Metabolites
Molecule Category Free-form
UNII V1VHB7IV58
EPA CompTox DTXSID70224478

Structure

InChI Key BHVOFCPOXNYVCE-UHFFFAOYSA-N
Smiles Nc1ncnc2c1[nH]c(=S)[nH]2
InChI
InChI=1S/C5H5N5S/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H4,6,7,8,9,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5N5S1
Molecular Weight 167.03
AlogP 0.22
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Polar Surface Area 80.48
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 7390-62-7
NORMAN SUSDAT
FDA SRS V1VHB7IV58
PubChem 5354970
ChemSpider 4511045.0