2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine

C14H16F3N5O2S — CID 167987064

IUPAC2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine
SMILESCc1nc(C2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cn3)C2)n[nH]1
InChIInChI=1S/C14H16F3N5O2S/c1-9-19-13(21-20-9)10-3-2-6-22(8-10)25(23,24)12-5-4-11(7-18-12)14(15,16)17/h4-5,7,10H,2-3,6,8H2,1H3,(H,19,20,21)
InChIKeyOCHMSXXJPFMJPL-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.10
Rot. Bonds3

About 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine

2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine (PubChem CID 167987064) has the molecular formula C14H16F3N5O2S and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine
PubChem CID167987064
Molecular FormulaC14H16F3N5O2S
Molecular Weight375.38 g/mol
Exact Mass375.10
IUPAC Name2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine
SMILESCc1nc(C2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cn3)C2)n[nH]1
InChIInChI=1S/C14H16F3N5O2S/c1-9-19-13(21-20-9)10-3-2-6-22(8-10)25(23,24)12-5-4-11(7-18-12)14(15,16)17/h4-5,7,10H,2-3,6,8H2,1H3,(H,19,20,21)
InChIKeyOCHMSXXJPFMJPL-UHFFFAOYSA-N
XLogP2.10
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylbenzonitrile
CID 136532516
(3S)-1-(3-bromo-4-methoxyphenyl)sulfonyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 96542180
(3S)-N-[(4-chlorophenyl)methyl]-N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-sulfonamide
CID 97321026
1-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]pyrrolidin-2-one
CID 167979359
7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane
CID 166283904
2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]quinoxaline
CID 146045794
(7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 71543733
3-[1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]-5-methyl-1H-1,2,4-triazole
CID 128779397
1-[4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-nitrophenyl]sulfonylazepane
CID 133363811
4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine
CID 133363780
(4-tert-butylphenyl)-[4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 122652175
2-[3-(4-fluorophenyl)-3-methylazetidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine
CID 166317932

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine (CID 167987064) is 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine is Cc1nc(C2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cn3)C2)n[nH]1.
What is the InChIKey of 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine?
The InChIKey is OCHMSXXJPFMJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2S/c1-9-19-13(21-20-9)10-3-2-6-22(8-10)25(23,24)12-5-4-11(7-18-12)14(15,16)17/h4-5,7,10H,2-3,6,8H2,1H3,(H,19,20,21).
What are the key properties of 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine?
2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine has a molecular weight of 375.38 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 167987064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).