4-[[5-ethoxy-3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-2-(trifluoromethyl)pyridine

C17H14F4N4O — CID 118903065

IUPAC4-[[5-ethoxy-3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-2-(trifluoromethyl)pyridine
SMILESCCOc1nc(-c2ccc(F)cc2)nn1Cc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C17H14F4N4O/c1-2-26-16-23-15(12-3-5-13(18)6-4-12)24-25(16)10-11-7-8-22-14(9-11)17(19,20)21/h3-9H,2,10H2,1H3
InChIKeyWNCAEISHUOPIJC-UHFFFAOYSA-N
MW366.32 g/mol
LogP3.94
Rot. Bonds5

About 4-[[5-ethoxy-3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-2-(trifluoromethyl)pyridine

4-[[5-ethoxy-3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-2-(trifluoromethyl)pyridine (PubChem CID 118903065) has the molecular formula C17H14F4N4O and a molecular weight of 366.32 g/mol. Its IUPAC name is 4-[[5-ethoxy-3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-[[5-ethoxy-3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-2-(trifluoromethyl)pyridine
PubChem CID118903065
Molecular FormulaC17H14F4N4O
Molecular Weight366.32 g/mol
Exact Mass366.11
IUPAC Name4-[[5-ethoxy-3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-2-(trifluoromethyl)pyridine
SMILESCCOc1nc(-c2ccc(F)cc2)nn1Cc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C17H14F4N4O/c1-2-26-16-23-15(12-3-5-13(18)6-4-12)24-25(16)10-11-7-8-22-14(9-11)17(19,20)21/h3-9H,2,10H2,1H3
InChIKeyWNCAEISHUOPIJC-UHFFFAOYSA-N
XLogP3.94
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-2-(1H-pyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 6621349
3-({5-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-tetraazol-1-yl}methyl)pyridine
CID 11616778
3-({5-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-tetraazol-1-yl}methyl)pyridine
CID 11688382
5-[3-Fluoro-5-(5-pyridin-2-yl-tetrazol-2-yl)-phenyl]-2-methoxy-pyrimidine
CID 44395568
7-(4-Fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 4564331
5-[1-(4-methylphenyl)-1H-tetraazol-5-yl]-2-(3-pyridinyl)-4-(trifluoromethyl)pyrimidine
CID 5222986
3-Methoxypropyl-(2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)amine
CID 49795819
2-[4-[5-Methyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 56672568
2-[4-[4-(2-Fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]pyridine
CID 71762326
5-[5-Ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-2-phenylpyridine
CID 71762327
2-[5-Ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-5-phenylpyridine
CID 71762328
(E)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-[6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide
CID 121369398

Frequently Asked Questions

What is the IUPAC name of 4-[[5-ethoxy-3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-[[5-ethoxy-3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-2-(trifluoromethyl)pyridine (CID 118903065) is 4-[[5-ethoxy-3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-[[5-ethoxy-3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-[[5-ethoxy-3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-2-(trifluoromethyl)pyridine is CCOc1nc(-c2ccc(F)cc2)nn1Cc1ccnc(C(F)(F)F)c1.
What is the InChIKey of 4-[[5-ethoxy-3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-2-(trifluoromethyl)pyridine?
The InChIKey is WNCAEISHUOPIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N4O/c1-2-26-16-23-15(12-3-5-13(18)6-4-12)24-25(16)10-11-7-8-22-14(9-11)17(19,20)21/h3-9H,2,10H2,1H3.
What are the key properties of 4-[[5-ethoxy-3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-2-(trifluoromethyl)pyridine?
4-[[5-ethoxy-3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-2-(trifluoromethyl)pyridine has a molecular weight of 366.32 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-ethoxy-3-(4-fluorophenyl)-1,2,4-triazol-1-yl]methyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 118903065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).