4-Phenyl-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol
Basic information
- CAS
5729-09-9- Standard SMILES
S=c1[nH]nc(-c2cccnc2)n1-c1ccccc1- InChIKey
MXPQWTUKCULYHR-UHFFFAOYSA-N- Molecular formula
- C13H10N4S
- Average molar mass
- 254.31 g/mol
- Monoisotopic mass
- 254.06261751
Names & identifiers
- Preferred name
- 4-Phenyl-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol
- IUPAC
- 4-phenyl-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
Names & synonyms
57600-03-04-Phenyl-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiolMFCD012107084-phenyl-5-pyridin-3-yl-4H-1,2,4-triazole-3-thiol4-phenyl-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione5729-09-94-phenyl-5-(3-pyridyl)-1,2,4-triazole-3-thiol4-Phenyl-5-(pyridin-3-yl)-1,2,4-4H-triazole-3-thiolCBMicro_029296MLS000525905CHEMBL1414262
Show more names
SCHEMBL10432252DTXSID10972805MXPQWTUKCULYHR-UHFFFAOYSA-NHMS2485G18BBL009196SBB004464STK257458AKOS000268478
Database identifiers
- CAS
5729-09-9- PubChem CID
- 736357
- DTXSID
DTXSID10972805- ChEMBL
CHEMBL1414262- Nikkaji
- J3.175.443G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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