Basic information
- CAS
936082-98-3- Standard SMILES
c1cnc(-c2nn3c(C4CCCCC4)nnc3s2)cn1- InChIKey
UYDMCKFXUOORCA-UHFFFAOYSA-N- Molecular formula
- C13H14N6S
- Average molar mass
- 286.36 g/mol
Names & identifiers
- Preferred name
- 3-Cyclohexyl-6-(2-pyrazinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- IUPAC
- 3-cyclohexyl-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- English name
- 3-cyclohexyl-6-(2-pyrazinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- Molecular formula
- C13H14N6S
- Molecular weight
- 286.36
Names & synonyms
936082-98-33-cyclohexyl-6-(2-pyrazinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole3-cyclohexyl-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleSTK708382AKOS004939110AO-365/434007163-cyclohexyl-6-(pyrazin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole3-cyclohexyl-6-(pyrazin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole3-cyclohexyl-6-pyrazin-2-yl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole2-{3-CYCLOHEXYL-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-6-YL}PYRAZINE1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 3-cyclohexyl-6-(2-pyrazinyl)-
Database identifiers
- CAS
936082-98-3
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Density
- 1.62 · 1.62±0.1 g/cm3(Predicted)
- pka
- -0.94 · -0.94±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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