6-cyclopropyl-7-[[4-(trifluoromethyl)cyclohexyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine

C17H20F3N3O — CID 158462172

IUPAC6-cyclopropyl-7-[[4-(trifluoromethyl)cyclohexyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)C1CCC(COc2cc3nncn3cc2C2CC2)CC1
InChIInChI=1S/C17H20F3N3O/c18-17(19,20)13-5-1-11(2-6-13)9-24-15-7-16-22-21-10-23(16)8-14(15)12-3-4-12/h7-8,10-13H,1-6,9H2
InChIKeyHFHVFLHQPFGLLB-UHFFFAOYSA-N
MW339.36 g/mol
LogP4.35
Rot. Bonds4

About 6-cyclopropyl-7-[[4-(trifluoromethyl)cyclohexyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine

6-cyclopropyl-7-[[4-(trifluoromethyl)cyclohexyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 158462172) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is 6-cyclopropyl-7-[[4-(trifluoromethyl)cyclohexyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-cyclopropyl-7-[[4-(trifluoromethyl)cyclohexyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID158462172
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC Name6-cyclopropyl-7-[[4-(trifluoromethyl)cyclohexyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)C1CCC(COc2cc3nncn3cc2C2CC2)CC1
InChIInChI=1S/C17H20F3N3O/c18-17(19,20)13-5-1-11(2-6-13)9-24-15-7-16-22-21-10-23(16)8-14(15)12-3-4-12/h7-8,10-13H,1-6,9H2
InChIKeyHFHVFLHQPFGLLB-UHFFFAOYSA-N
XLogP4.35
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-cyclopropyl-7-[[4-(trifluoromethyl)cyclohexyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

6-cyclopropyl-7-[[(1S,2S)-6-methyl-2-bicyclo[4.1.0]heptanyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine
CID 144721606
tert-butyl-[(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methoxy]-dimethylsilane
CID 90456078
6-cyclopropyl-7-[(3,5-dimethyl-3-propyl-1-bicyclo[3.3.1]nonanyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine
CID 126486849
ethane;4-methyl-6-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidine
CID 176691029
4-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyridine
CID 150180283
1-[4-(cyclopentylmethoxy)-5-cyclopropyl-2-fluorophenyl]ethanone
CID 123451180
3-fluoro-5-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenol
CID 146557307
2-[4-(cyclopropylmethoxy)-3-(dimethylamino)-6-oxopyridazin-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
CID 170557212
6-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrimidine-4-carbonitrile
CID 167891127
4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine
CID 171115591
1-cyclopropyl-4-fluoro-2-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzene
CID 141398493
5-cyclopropyl-2-fluoro-4-[[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methoxy]benzoic acid
CID 118110655

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-7-[[4-(trifluoromethyl)cyclohexyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-cyclopropyl-7-[[4-(trifluoromethyl)cyclohexyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine (CID 158462172) is 6-cyclopropyl-7-[[4-(trifluoromethyl)cyclohexyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-cyclopropyl-7-[[4-(trifluoromethyl)cyclohexyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-cyclopropyl-7-[[4-(trifluoromethyl)cyclohexyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)C1CCC(COc2cc3nncn3cc2C2CC2)CC1.
What is the InChIKey of 6-cyclopropyl-7-[[4-(trifluoromethyl)cyclohexyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HFHVFLHQPFGLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c18-17(19,20)13-5-1-11(2-6-13)9-24-15-7-16-22-21-10-23(16)8-14(15)12-3-4-12/h7-8,10-13H,1-6,9H2.
What are the key properties of 6-cyclopropyl-7-[[4-(trifluoromethyl)cyclohexyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine?
6-cyclopropyl-7-[[4-(trifluoromethyl)cyclohexyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 339.36 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-7-[[4-(trifluoromethyl)cyclohexyl]methoxy]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 158462172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).