5-(4-ethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole

C17H14F3N3O — CID 759754

IUPAC5-(4-ethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESCCOc1ccc(-c2ncnn2-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H14F3N3O/c1-2-24-15-8-6-12(7-9-15)16-21-11-22-23(16)14-5-3-4-13(10-14)17(18,19)20/h3-11H,2H2,1H3
InChIKeyHRLNGNOAFKXKEX-UHFFFAOYSA-N
MW333.31 g/mol
LogP4.35
Rot. Bonds4

About 5-(4-ethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole

5-(4-ethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole (PubChem CID 759754) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
PubChem CID759754
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name5-(4-ethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESCCOc1ccc(-c2ncnn2-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H14F3N3O/c1-2-24-15-8-6-12(7-9-15)16-21-11-22-23(16)14-5-3-4-13(10-14)17(18,19)20/h3-11H,2H2,1H3
InChIKeyHRLNGNOAFKXKEX-UHFFFAOYSA-N
XLogP4.35
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 7184521
5-(4-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-imidazole-2-thione
CID 4084941
5-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 107447268
5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]triazol-4-amine
CID 45499383
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088
1-ethyl-4-[[2-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]piperazine
CID 131920834
5-(4-butylphenyl)-1-(3-methoxyphenyl)-1,2,4-triazole
CID 67950604
ethyl 5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 46743357
ethyl 5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
CID 54513433
5-(3-pyrazol-1-ylpropyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 72900759
(3R)-1-(4-ethoxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 6959457
3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 51362120

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole?
The IUPAC name of 5-(4-ethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole (CID 759754) is 5-(4-ethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole.
What is the SMILES notation for 5-(4-ethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole?
The canonical SMILES for 5-(4-ethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole is CCOc1ccc(-c2ncnn2-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole?
The InChIKey is HRLNGNOAFKXKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c1-2-24-15-8-6-12(7-9-15)16-21-11-22-23(16)14-5-3-4-13(10-14)17(18,19)20/h3-11H,2H2,1H3.
What are the key properties of 5-(4-ethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole?
5-(4-ethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole has a molecular weight of 333.31 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 5-(4-ethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole is sourced from PubChem (CID 759754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).