1-(2,4-dimethylphenyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole

C12H12F3N3 — CID 59532601

IUPAC1-(2,4-dimethylphenyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole
SMILESCc1ccc(-n2nc(C(F)(F)F)nc2C)c(C)c1
InChIInChI=1S/C12H12F3N3/c1-7-4-5-10(8(2)6-7)18-9(3)16-11(17-18)12(13,14)15/h4-6H,1-3H3
InChIKeyQMCFQOAGSYZFLR-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.21
Rot. Bonds1

About 1-(2,4-dimethylphenyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole

1-(2,4-dimethylphenyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole (PubChem CID 59532601) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole
PubChem CID59532601
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name1-(2,4-dimethylphenyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole
SMILESCc1ccc(-n2nc(C(F)(F)F)nc2C)c(C)c1
InChIInChI=1S/C12H12F3N3/c1-7-4-5-10(8(2)6-7)18-9(3)16-11(17-18)12(13,14)15/h4-6H,1-3H3
InChIKeyQMCFQOAGSYZFLR-UHFFFAOYSA-N
XLogP3.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-Fluorophenyl)-3-methyl-5-phenyl-4H-1,2,4-triazole
CID 50993662
1,5-Diphenyl-3-trifluoromethyl-1h-1,2,4-triazole
CID 14027596
3-Heptyl-1,5-diphenyl-1,2,4-triazole
CID 10149745
3,5-Bis(heptafluoropropyl)-1-phenyl-1,2,4-tri-azole
CID 259675
4-(5-amino-3-methyl-1H-1,2,4-triazol-1-yl)benzonitrile
CID 53621389
3-chloro-5-methyl-4-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
CID 63383535
3-chloro-5-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
CID 63383537
1-(4-fluoro-2-methylphenyl)-3-methyl-1H-1,2,4-triazol-5-amine
CID 63860344
3,4-Dimethyl-1-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-ium
CID 24822710
1,3-Diphenyl-5-(trifluoromethyl)-1h-1,2,4-triazole
CID 86191531
5-(4-Methylphenyl)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 102104094
5-(2-Methylpropyl)-1-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 135018698

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 1-(2,4-dimethylphenyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole (CID 59532601) is 1-(2,4-dimethylphenyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 1-(2,4-dimethylphenyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole is Cc1ccc(-n2nc(C(F)(F)F)nc2C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is QMCFQOAGSYZFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-7-4-5-10(8(2)6-7)18-9(3)16-11(17-18)12(13,14)15/h4-6H,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole?
1-(2,4-dimethylphenyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 255.24 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 59532601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).