2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]cyclohexan-1-ol

C13H14F3N3OS — CID 110883546

IUPAC2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]cyclohexan-1-ol
SMILESOC1CCCCC1Sc1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C13H14F3N3OS/c14-13(15,16)8-5-6-11-17-18-12(19(11)7-8)21-10-4-2-1-3-9(10)20/h5-7,9-10,20H,1-4H2
InChIKeyUOLGTBHYHGKTJW-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.14
Rot. Bonds2

About 2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]cyclohexan-1-ol

2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]cyclohexan-1-ol (PubChem CID 110883546) has the molecular formula C13H14F3N3OS and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]cyclohexan-1-ol
PubChem CID110883546
Molecular FormulaC13H14F3N3OS
Molecular Weight317.34 g/mol
Exact Mass317.08
IUPAC Name2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]cyclohexan-1-ol
SMILESOC1CCCCC1Sc1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C13H14F3N3OS/c14-13(15,16)8-5-6-11-17-18-12(19(11)7-8)21-10-4-2-1-3-9(10)20/h5-7,9-10,20H,1-4H2
InChIKeyUOLGTBHYHGKTJW-UHFFFAOYSA-N
XLogP3.14
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]cyclohexan-1-ol 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

N-cyclopentyl-3-methyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]butanamide
CID 86920617
2-methyl-1-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propan-2-ol
CID 110932451
N-(1-cyclopropylethyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 51335070
N-cyclopropyl-N-(2-methylpropyl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 87019355
1-cyclopropyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 43655456
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 46513847
(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanamide
CID 31611934
2-amino-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol
CID 43154745
1-[2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]imidazolidin-2-one
CID 31612921
1-naphthalen-2-yl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]ethanone
CID 31610753
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 31614562
N-carbamoyl-4-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]butanamide
CID 47091870

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]cyclohexan-1-ol?
The IUPAC name of 2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]cyclohexan-1-ol (CID 110883546) is 2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]cyclohexan-1-ol is OC1CCCCC1Sc1nnc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]cyclohexan-1-ol?
The InChIKey is UOLGTBHYHGKTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3OS/c14-13(15,16)8-5-6-11-17-18-12(19(11)7-8)21-10-4-2-1-3-9(10)20/h5-7,9-10,20H,1-4H2.
What are the key properties of 2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]cyclohexan-1-ol?
2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]cyclohexan-1-ol has a molecular weight of 317.34 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]cyclohexan-1-ol is sourced from PubChem (CID 110883546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).