6-(3,5-Dimethoxyphenyl)-3-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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Basic information
- CAS
947930-22-5- Standard SMILES
COc1cc(OC)cc(-c2nn3c(-c4ccccn4)nnc3s2)c1- InChIKey
ONBOJUVGPIZYOV-UHFFFAOYSA-N- Molecular formula
- C16H13N5O2S
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.07899585
Names & identifiers
- Preferred name
- 6-(3,5-Dimethoxyphenyl)-3-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- IUPAC
- 6-(3,5-dimethoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- English name
- 6-(3,5-dimethoxyphenyl)-3-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- Molecular formula
- C16H13N5O2S
- Molecular weight
- 339.37172
Names & synonyms
CHEMBL40848806-(3,5-dimethoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleHMS3469D19BDBM50236099STL284778AKOS004939382AO-365/434016936-(3,5-dimethoxyphenyl)-3-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole6-(3,5-dimethoxyphenyl)-3-(pyridin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole6-(3,5-dimethoxyphenyl)-3-pyridin-2-yl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole947930-22-5
Database identifiers
- CAS
947930-22-5- PubChem CID
- 25020909
- ChEMBL
CHEMBL4084880
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
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Compound notes
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