2-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine

C15H17F3N4O2S — CID 12991486

IUPAC2-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2C2CCCCC2)nc1
InChIInChI=1S/C15H17F3N4O2S/c1-25(23,24)11-7-8-12(19-9-11)22-13(10-5-3-2-4-6-10)20-14(21-22)15(16,17)18/h7-10H,2-6H2,1H3
InChIKeyWMHFDRZUGQNXEK-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.13
Rot. Bonds3

About 2-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine

2-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine (PubChem CID 12991486) has the molecular formula C15H17F3N4O2S and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine.

Molecular Properties

Compound Name2-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
PubChem CID12991486
Molecular FormulaC15H17F3N4O2S
Molecular Weight374.39 g/mol
Exact Mass374.10
IUPAC Name2-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2C2CCCCC2)nc1
InChIInChI=1S/C15H17F3N4O2S/c1-25(23,24)11-7-8-12(19-9-11)22-13(10-5-3-2-4-6-10)20-14(21-22)15(16,17)18/h7-10H,2-6H2,1H3
InChIKeyWMHFDRZUGQNXEK-UHFFFAOYSA-N
XLogP3.13
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine?
The IUPAC name of 2-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine (CID 12991486) is 2-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine.
What is the SMILES notation for 2-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine?
The canonical SMILES for 2-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2C2CCCCC2)nc1.
What is the InChIKey of 2-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine?
The InChIKey is WMHFDRZUGQNXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2S/c1-25(23,24)11-7-8-12(19-9-11)22-13(10-5-3-2-4-6-10)20-14(21-22)15(16,17)18/h7-10H,2-6H2,1H3.
What are the key properties of 2-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine?
2-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine has a molecular weight of 374.39 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine is sourced from PubChem (CID 12991486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).