3-(2-Chlorophenyl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Basic information
- CAS
697230-24-3- Standard SMILES
Clc1ccccc1-c1nnc2sc(-c3ccccn3)nn12- InChIKey
QFEZYJCWAAOWQB-UHFFFAOYSA-N- Molecular formula
- C14H8ClN5S
- Average molar mass
- 313.8 g/mol
- Monoisotopic mass
- 313.0188941
Names & identifiers
- Preferred name
- 3-(2-Chlorophenyl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- IUPAC
- 3-(2-chlorophenyl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- English name
- 3-(2-chlorophenyl)-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- Molecular formula
- C14H8ClN5S
- Molecular weight
- 313.76
Names & synonyms
697230-24-33-(2-chlorophenyl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole3-(2-chlorophenyl)-6-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole3-(2-chlorophenyl)-6-(pyridin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleMLS000039442CHEMBL1594603HMS2423A20STK707999AKOS001699853SMR000035550ST079367AO-365/42612277
Show more names
1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 3-(2-chlorophenyl)-6-(2-pyridinyl)-
SR-01000115411SR-01000115411-13-(2-chlorophenyl)-6-(2-pyridyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazoline3-(2-chlorophenyl)-6-(pyridin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Database identifiers
- CAS
697230-24-3- PubChem CID
- 665427
- ChEMBL
CHEMBL1594603
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- -0.1 · -0.10±0.19(Predicted)
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Compound notes
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