3-(2-chlorophenyl)-4-methyl-5-[2-(trifluoromethoxy)phenyl]-1,2,4-triazole

C16H11ClF3N3O — CID 11523216

IUPAC3-(2-chlorophenyl)-4-methyl-5-[2-(trifluoromethoxy)phenyl]-1,2,4-triazole
SMILESCn1c(-c2ccccc2Cl)nnc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H11ClF3N3O/c1-23-14(10-6-2-4-8-12(10)17)21-22-15(23)11-7-3-5-9-13(11)24-16(18,19)20/h2-9H,1H3
InChIKeyQNMPWTBJPOAEDR-UHFFFAOYSA-N
MW353.73 g/mol
LogP4.70
Rot. Bonds3

About 3-(2-chlorophenyl)-4-methyl-5-[2-(trifluoromethoxy)phenyl]-1,2,4-triazole

3-(2-chlorophenyl)-4-methyl-5-[2-(trifluoromethoxy)phenyl]-1,2,4-triazole (PubChem CID 11523216) has the molecular formula C16H11ClF3N3O and a molecular weight of 353.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-methyl-5-[2-(trifluoromethoxy)phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-methyl-5-[2-(trifluoromethoxy)phenyl]-1,2,4-triazole
PubChem CID11523216
Molecular FormulaC16H11ClF3N3O
Molecular Weight353.73 g/mol
Exact Mass353.05
IUPAC Name3-(2-chlorophenyl)-4-methyl-5-[2-(trifluoromethoxy)phenyl]-1,2,4-triazole
SMILESCn1c(-c2ccccc2Cl)nnc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H11ClF3N3O/c1-23-14(10-6-2-4-8-12(10)17)21-22-15(23)11-7-3-5-9-13(11)24-16(18,19)20/h2-9H,1H3
InChIKeyQNMPWTBJPOAEDR-UHFFFAOYSA-N
XLogP4.70
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.73
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-Chloro-1-methoxynaphthalen-2-yl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 11683156
3-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-5-(2-(trifluoromethoxy)phenyl)-4H-1,2,4-triazole
CID 10250842
3-(1-(4-chlorophenyl)cyclobutyl)-5-(2-methoxyphenyl)-4-methyl-4H-1,2,4-triazole
CID 10473292
3-(1-(4-chlorophenyl)cyclobutyl)-5-(3-fluoro-4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole
CID 10474399
3-(4-Chloro-1-methoxynaphthalen-2-yl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 11538963
4-Methyl-3-[2-(trifluoromethoxy)phenyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 11625219
3-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-5-(4-(trifluoromethoxy)phenyl)-4H-1,2,4-triazole
CID 11742158
3-(2,3-Dichlorophenyl)-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole
CID 16678386
3-(2,3-Dichlorophenyl)-4-[(3-methoxyphenyl)methyl]-1,2,4-triazole
CID 44440452
5-(4-chloro-2-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylpentyl]-N-propyl-1,2,4-triazol-3-amine;hydrochloride
CID 11178740
(S)-[5-(4-Chloro-2-methoxy-phenyl)-1-methyl-1H-[1,2,4]triazol-3-yl]-(1-phenyl-butyl)-propyl-amine; hydrochloride
CID 11212115
[5-(4-Chloro-2-methoxy-phenyl)-1-methyl-1H-[1,2,4]triazol-3-yl]-(1-phenyl-butyl)-propyl-amine
CID 11305354

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-methyl-5-[2-(trifluoromethoxy)phenyl]-1,2,4-triazole?
The IUPAC name of 3-(2-chlorophenyl)-4-methyl-5-[2-(trifluoromethoxy)phenyl]-1,2,4-triazole (CID 11523216) is 3-(2-chlorophenyl)-4-methyl-5-[2-(trifluoromethoxy)phenyl]-1,2,4-triazole.
What is the SMILES notation for 3-(2-chlorophenyl)-4-methyl-5-[2-(trifluoromethoxy)phenyl]-1,2,4-triazole?
The canonical SMILES for 3-(2-chlorophenyl)-4-methyl-5-[2-(trifluoromethoxy)phenyl]-1,2,4-triazole is Cn1c(-c2ccccc2Cl)nnc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 3-(2-chlorophenyl)-4-methyl-5-[2-(trifluoromethoxy)phenyl]-1,2,4-triazole?
The InChIKey is QNMPWTBJPOAEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O/c1-23-14(10-6-2-4-8-12(10)17)21-22-15(23)11-7-3-5-9-13(11)24-16(18,19)20/h2-9H,1H3.
What are the key properties of 3-(2-chlorophenyl)-4-methyl-5-[2-(trifluoromethoxy)phenyl]-1,2,4-triazole?
3-(2-chlorophenyl)-4-methyl-5-[2-(trifluoromethoxy)phenyl]-1,2,4-triazole has a molecular weight of 353.73 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-methyl-5-[2-(trifluoromethoxy)phenyl]-1,2,4-triazole is sourced from PubChem (CID 11523216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).