3-(ethoxymethyl)-8-(trifluoromethyl)-7-[(1R)-1-(2,4,6-trifluorophenoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyridine

C18H15F6N3O2 — CID 121452401

IUPAC3-(ethoxymethyl)-8-(trifluoromethyl)-7-[(1R)-1-(2,4,6-trifluorophenoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCOCc1nnc2c(C(F)(F)F)c([C@@H](C)Oc3c(F)cc(F)cc3F)ccn12
InChIInChI=1S/C18H15F6N3O2/c1-3-28-8-14-25-26-17-15(18(22,23)24)11(4-5-27(14)17)9(2)29-16-12(20)6-10(19)7-13(16)21/h4-7,9H,3,8H2,1-2H3/t9-/m1/s1
InChIKeyFMUUKXAWUMOWCY-SECBINFHSA-N
MW419.33 g/mol
LogP4.84
Rot. Bonds6

About 3-(ethoxymethyl)-8-(trifluoromethyl)-7-[(1R)-1-(2,4,6-trifluorophenoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyridine

3-(ethoxymethyl)-8-(trifluoromethyl)-7-[(1R)-1-(2,4,6-trifluorophenoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 121452401) has the molecular formula C18H15F6N3O2 and a molecular weight of 419.33 g/mol. Its IUPAC name is 3-(ethoxymethyl)-8-(trifluoromethyl)-7-[(1R)-1-(2,4,6-trifluorophenoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(ethoxymethyl)-8-(trifluoromethyl)-7-[(1R)-1-(2,4,6-trifluorophenoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID121452401
Molecular FormulaC18H15F6N3O2
Molecular Weight419.33 g/mol
Exact Mass419.11
IUPAC Name3-(ethoxymethyl)-8-(trifluoromethyl)-7-[(1R)-1-(2,4,6-trifluorophenoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCOCc1nnc2c(C(F)(F)F)c([C@@H](C)Oc3c(F)cc(F)cc3F)ccn12
InChIInChI=1S/C18H15F6N3O2/c1-3-28-8-14-25-26-17-15(18(22,23)24)11(4-5-27(14)17)9(2)29-16-12(20)6-10(19)7-13(16)21/h4-7,9H,3,8H2,1-2H3/t9-/m1/s1
InChIKeyFMUUKXAWUMOWCY-SECBINFHSA-N
XLogP4.84
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.33
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(ethoxymethyl)-8-(trifluoromethyl)-7-[(1R)-1-(2,4,6-trifluorophenoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-8-(trifluoromethyl)-7-[(1R)-1-(2,4,6-trifluorophenoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(ethoxymethyl)-8-(trifluoromethyl)-7-[(1R)-1-(2,4,6-trifluorophenoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 121452401) is 3-(ethoxymethyl)-8-(trifluoromethyl)-7-[(1R)-1-(2,4,6-trifluorophenoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(ethoxymethyl)-8-(trifluoromethyl)-7-[(1R)-1-(2,4,6-trifluorophenoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(ethoxymethyl)-8-(trifluoromethyl)-7-[(1R)-1-(2,4,6-trifluorophenoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyridine is CCOCc1nnc2c(C(F)(F)F)c([C@@H](C)Oc3c(F)cc(F)cc3F)ccn12.
What is the InChIKey of 3-(ethoxymethyl)-8-(trifluoromethyl)-7-[(1R)-1-(2,4,6-trifluorophenoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is FMUUKXAWUMOWCY-SECBINFHSA-N. The full InChI is InChI=1S/C18H15F6N3O2/c1-3-28-8-14-25-26-17-15(18(22,23)24)11(4-5-27(14)17)9(2)29-16-12(20)6-10(19)7-13(16)21/h4-7,9H,3,8H2,1-2H3/t9-/m1/s1.
What are the key properties of 3-(ethoxymethyl)-8-(trifluoromethyl)-7-[(1R)-1-(2,4,6-trifluorophenoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-(ethoxymethyl)-8-(trifluoromethyl)-7-[(1R)-1-(2,4,6-trifluorophenoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 419.33 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-8-(trifluoromethyl)-7-[(1R)-1-(2,4,6-trifluorophenoxy)ethyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 121452401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).