7-(4-methoxycyclohexyl)oxy-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C16H17F6N3O2 — CID 144811035

IUPAC7-(4-methoxycyclohexyl)oxy-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOC1CCC(Oc2ccn3c(CC(F)(F)F)nnc3c2C(F)(F)F)CC1
InChIInChI=1S/C16H17F6N3O2/c1-26-9-2-4-10(5-3-9)27-11-6-7-25-12(8-15(17,18)19)23-24-14(25)13(11)16(20,21)22/h6-7,9-10H,2-5,8H2,1H3
InChIKeyIXCZWSWFJNNKKF-UHFFFAOYSA-N
MW397.32 g/mol
LogP4.19
Rot. Bonds4

About 7-(4-methoxycyclohexyl)oxy-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

7-(4-methoxycyclohexyl)oxy-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 144811035) has the molecular formula C16H17F6N3O2 and a molecular weight of 397.32 g/mol. Its IUPAC name is 7-(4-methoxycyclohexyl)oxy-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-(4-methoxycyclohexyl)oxy-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID144811035
Molecular FormulaC16H17F6N3O2
Molecular Weight397.32 g/mol
Exact Mass397.12
IUPAC Name7-(4-methoxycyclohexyl)oxy-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOC1CCC(Oc2ccn3c(CC(F)(F)F)nnc3c2C(F)(F)F)CC1
InChIInChI=1S/C16H17F6N3O2/c1-26-9-2-4-10(5-3-9)27-11-6-7-25-12(8-15(17,18)19)23-24-14(25)13(11)16(20,21)22/h6-7,9-10H,2-5,8H2,1H3
InChIKeyIXCZWSWFJNNKKF-UHFFFAOYSA-N
XLogP4.19
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.32
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(4-methoxycyclohexyl)oxy-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]oxy]cyclohexan-1-ol
CID 144811070
7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 144811137
acetylene;3-(2,2-dimethylcyclopropyl)-7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;fluorobenzene
CID 144811150
8-chloro-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 57459499
N-[[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methyl]-N-methyl-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 71735909
3-(cyclopropylmethyl)-7-[[2-(4-fluoro-2-methoxyphenyl)cyclopropyl]methoxy]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 123551523
3-(cyclopropylmethyl)-7-[(1S)-1-(2,3-difluorophenoxy)ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 121452404
3-(cyclopropylmethyl)-7-[1-(3,4-difluorophenoxy)ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 123979947
3-(cyclopropylmethyl)-7-[1-(3,5-difluorophenoxy)ethenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 162566979
7-(2-bromoethyl)-2-(4-methylcyclohexyl)oxy-1-(trifluoromethyl)naphthalene
CID 90027600
3-butyl-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 57459579
4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene
CID 90140548

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxycyclohexyl)oxy-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-(4-methoxycyclohexyl)oxy-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 144811035) is 7-(4-methoxycyclohexyl)oxy-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-(4-methoxycyclohexyl)oxy-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-(4-methoxycyclohexyl)oxy-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is COC1CCC(Oc2ccn3c(CC(F)(F)F)nnc3c2C(F)(F)F)CC1.
What is the InChIKey of 7-(4-methoxycyclohexyl)oxy-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is IXCZWSWFJNNKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F6N3O2/c1-26-9-2-4-10(5-3-9)27-11-6-7-25-12(8-15(17,18)19)23-24-14(25)13(11)16(20,21)22/h6-7,9-10H,2-5,8H2,1H3.
What are the key properties of 7-(4-methoxycyclohexyl)oxy-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
7-(4-methoxycyclohexyl)oxy-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 397.32 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxycyclohexyl)oxy-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 144811035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).