Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T7X5TEW9ZD
EPA CompTox DTXSID20182655

Structure

InChI Key LFJKVEOWXYKQGT-UHFFFAOYSA-N
Smiles Nc1c(N)c(=S)nc[nH]1
InChI
InChI=1S/C4H6N4S/c5-2-3(6)7-1-8-4(2)9/h1H,5H2,(H3,6,7,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6N4S1
Molecular Weight 142.03
AlogP -0.07
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Polar Surface Area 77.82
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 2846-89-1
NORMAN SUSDAT
FDA SRS T7X5TEW9ZD
PubChem 1201414
ChemSpider 1013217.0