1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]-1,2,4-triazole

C11H10F3N3O — CID 91259037

IUPAC1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]-1,2,4-triazole
SMILESCc1nc(Oc2ccccc2C(F)(F)F)n(C)n1
InChIInChI=1S/C11H10F3N3O/c1-7-15-10(17(2)16-7)18-9-6-4-3-5-8(9)11(12,13)14/h3-6H,1-2H3
InChIKeyTYDYWEOHEIQYTB-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.93
Rot. Bonds2

About 1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]-1,2,4-triazole

1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]-1,2,4-triazole (PubChem CID 91259037) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]-1,2,4-triazole.

Molecular Properties

Compound Name1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]-1,2,4-triazole
PubChem CID91259037
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]-1,2,4-triazole
SMILESCc1nc(Oc2ccccc2C(F)(F)F)n(C)n1
InChIInChI=1S/C11H10F3N3O/c1-7-15-10(17(2)16-7)18-9-6-4-3-5-8(9)11(12,13)14/h3-6H,1-2H3
InChIKeyTYDYWEOHEIQYTB-UHFFFAOYSA-N
XLogP2.93
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-Dimethyl-[1,2,4]triazol-4-yl)-[3-(2-methoxy-phenyl)-allylidene]-amine
CID 6861738
(E)-1-(2-methoxyphenyl)-N-[3-methylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]methanimine
CID 139222742
(E)-1-(2-methoxyphenyl)-N-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-4-yl]methanimine
CID 139222764
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(2-methoxyphenyl)-2-propen-1-imine
CID 2868471
5-[(5-Fluoro-2-methylphenoxy)methyl]-1-methyl-1,2,4-triazole
CID 91651257
5-[(3-Fluoro-4-methylphenoxy)methyl]-1-methyl-1,2,4-triazole
CID 107171483
5-(2-methoxybenzyl)-1-methyl-3-(3-methylbutyl)-1H-1,2,4-triazole
CID 124210510
1-tert-butyl-5-[2-(2-methylphenoxy)ethyl]-1H-1,2,4-triazole
CID 129610598
3-[(2-methoxyphenyl)methyl]-5-[(3R)-oxolan-3-yl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 129620370
5-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-1,2,4-triazole
CID 23052473
3-(4-Trifluoromethoxystyryl)-1,2,4-triazole
CID 53707631
1-[3-[4-(Trifluoromethoxy)phenyl]prop-2-enyl]-1,2,4-triazole
CID 57131821

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]-1,2,4-triazole?
The IUPAC name of 1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]-1,2,4-triazole (CID 91259037) is 1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]-1,2,4-triazole.
What is the SMILES notation for 1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]-1,2,4-triazole?
The canonical SMILES for 1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]-1,2,4-triazole is Cc1nc(Oc2ccccc2C(F)(F)F)n(C)n1.
What is the InChIKey of 1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]-1,2,4-triazole?
The InChIKey is TYDYWEOHEIQYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-7-15-10(17(2)16-7)18-9-6-4-3-5-8(9)11(12,13)14/h3-6H,1-2H3.
What are the key properties of 1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]-1,2,4-triazole?
1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]-1,2,4-triazole has a molecular weight of 257.21 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]-1,2,4-triazole is sourced from PubChem (CID 91259037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).