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

C16H11ClF3N3O — CID 31196241

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazole
SMILESCOc1ccc(-c2ncnn2-c2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H11ClF3N3O/c1-24-12-5-2-10(3-6-12)15-21-9-22-23(15)11-4-7-14(17)13(8-11)16(18,19)20/h2-9H,1H3
InChIKeyOVMLDZSWBZMFCA-UHFFFAOYSA-N
MW353.73 g/mol
LogP4.62
Rot. Bonds3

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

1-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazole (PubChem CID 31196241) has the molecular formula C16H11ClF3N3O and a molecular weight of 353.73 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazole
PubChem CID31196241
Molecular FormulaC16H11ClF3N3O
Molecular Weight353.73 g/mol
Exact Mass353.05
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazole
SMILESCOc1ccc(-c2ncnn2-c2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H11ClF3N3O/c1-24-12-5-2-10(3-6-12)15-21-9-22-23(15)11-4-7-14(17)13(8-11)16(18,19)20/h2-9H,1H3
InChIKeyOVMLDZSWBZMFCA-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazole
CID 22661044
5-(4-ethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 759754
1-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 870002
(1R,2R,6R,7R)-4-[4-chloro-3-(trifluoromethyl)phenyl]-8,9-bis(4-methoxyphenyl)-1,7-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
CID 100888202
5-(4-butylphenyl)-1-(3-methoxyphenyl)-1,2,4-triazole
CID 67950604
5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazole
CID 22171007
3-chloro-1-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110584624
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]oxyphenyl]urea
CID 162395679
[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanamine
CID 82196888
[1-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 82094824
1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
CID 118805005
1-ethenyl-5-(4-methoxyphenyl)-1,2,4-triazole
CID 141010100

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazole?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazole (CID 31196241) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazole is COc1ccc(-c2ncnn2-c2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazole?
The InChIKey is OVMLDZSWBZMFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O/c1-24-12-5-2-10(3-6-12)15-21-9-22-23(15)11-4-7-14(17)13(8-11)16(18,19)20/h2-9H,1H3.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazole?
1-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazole has a molecular weight of 353.73 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 31196241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).