6-(5-Bromo-3-pyridinyl)-3-(2-furyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Basic information
- CAS
929848-37-3- Standard SMILES
Brc1cncc(-c2nn3c(-c4ccco4)nnc3s2)c1- InChIKey
LBXQCQUVRXBGDN-UHFFFAOYSA-N- Molecular formula
- C12H6BrN5OS
- Average molar mass
- 348.18 g/mol
Names & identifiers
- Preferred name
- 6-(5-Bromo-3-pyridinyl)-3-(2-furyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- IUPAC
- 6-(5-bromo-3-pyridinyl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- English name
- 6-(5-bromo-3-pyridinyl)-3-(2-furyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- Molecular formula
- C12H6BrN5OS
- Molecular weight
- 348.18
Names & synonyms
6-(5-bromo-3-pyridinyl)-3-(2-furyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole929848-37-36-(5-bromopyridin-3-yl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleSTK622119AKOS005555612AO-365/434729946-(5-bromopyridin-3-yl)-3-(furan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 6-(5-bromo-3-pyridinyl)-3-(2-furanyl)-
Database identifiers
- CAS
929848-37-3
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Density
- 1.98 · 1.98±0.1 g/cm3(Predicted)
- pka
- 0.14 · 0.14±0.22(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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