2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)pyridine

C14H15F3N4 — CID 114909080

IUPAC2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2n[nH]c(C3CCCCC3)n2)nc1
InChIInChI=1S/C14H15F3N4/c15-14(16,17)10-6-7-11(18-8-10)13-19-12(20-21-13)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,20,21)
InChIKeyFMPRVOKZQQGRGO-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.93
Rot. Bonds2

About 2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)pyridine

2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)pyridine (PubChem CID 114909080) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)pyridine
PubChem CID114909080
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2n[nH]c(C3CCCCC3)n2)nc1
InChIInChI=1S/C14H15F3N4/c15-14(16,17)10-6-7-11(18-8-10)13-19-12(20-21-13)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,20,21)
InChIKeyFMPRVOKZQQGRGO-UHFFFAOYSA-N
XLogP3.93
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pyridine
CID 61338696
4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-1,3-thiazole
CID 63021841
5-chloro-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
CID 67027843
5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine
CID 61339281
5-cyclohexyl-3-(3,5-difluorophenyl)-1H-1,2,4-triazole
CID 61336958
5-cyclohexyl-3-(2,6-dichlorophenyl)-1H-1,2,4-triazole
CID 55221848
2-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine
CID 143209795
5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-amine
CID 114908388
5-cyclohexyl-3-(2-methoxyphenyl)-1H-1,2,4-triazole
CID 61337352
4-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-(trifluoromethoxy)phenol
CID 138386078
3-(3-bromo-4-fluorophenyl)-5-cyclohexyl-1H-1,2,4-triazole
CID 107954590
5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylaniline
CID 61337782

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)pyridine (CID 114909080) is 2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(-c2n[nH]c(C3CCCCC3)n2)nc1.
What is the InChIKey of 2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is FMPRVOKZQQGRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c15-14(16,17)10-6-7-11(18-8-10)13-19-12(20-21-13)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,20,21).
What are the key properties of 2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)pyridine?
2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 296.30 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 114909080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).