6-(2-Fluorophenyl)-3-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Basic information
- CAS
825609-87-8- Standard SMILES
Cn1nc2c(c1-c1nnc3sc(-c4ccccc4F)nn13)CCCC2- InChIKey
CCMODKJLHXCSET-UHFFFAOYSA-N- Molecular formula
- C17H15FN6S
- Average molar mass
- 354.4 g/mol
Names & identifiers
- Preferred name
- 6-(2-Fluorophenyl)-3-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- IUPAC
- 6-(2-fluorophenyl)-3-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- English name
- 3-[6-(2-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-methyl-4,5,6,7-tetrahydro-2H-indazole
- Molecular formula
- C17H15FN6S
- Molecular weight
- 354.4046032
Names & synonyms
3-[6-(2-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-methyl-4,5,6,7-tetrahydro-2H-indazole6-(2-fluorophenyl)-3-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleAP-501/43273837
Database identifiers
- CAS
825609-87-8
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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