5-[4-methyl-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole

C10H8F3N3 — CID 174633891

IUPAC5-[4-methyl-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
SMILESCc1ccc(-c2ncn[nH]2)c(C(F)(F)F)c1
InChIInChI=1S/C10H8F3N3/c1-6-2-3-7(9-14-5-15-16-9)8(4-6)10(11,12)13/h2-5H,1H3,(H,14,15,16)
InChIKeyMGGZKYAHWPTIJU-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.80
Rot. Bonds1

About 5-[4-methyl-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole

5-[4-methyl-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole (PubChem CID 174633891) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 5-[4-methyl-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[4-methyl-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
PubChem CID174633891
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name5-[4-methyl-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
SMILESCc1ccc(-c2ncn[nH]2)c(C(F)(F)F)c1
InChIInChI=1S/C10H8F3N3/c1-6-2-3-7(9-14-5-15-16-9)8(4-6)10(11,12)13/h2-5H,1H3,(H,14,15,16)
InChIKeyMGGZKYAHWPTIJU-UHFFFAOYSA-N
XLogP2.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene
CID 20697245
1-(2-fluoro-4-methylphenyl)-4-methyl-2-(trifluoromethyl)benzene
CID 20744040
1-(cyclobuten-1-yl)-4-methyl-2-(trifluoromethyl)benzene
CID 159168162
2-[4-methyl-2-(trifluoromethyl)phenyl]pyridin-3-amine
CID 158171851
5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazole;ethane
CID 142400279
4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene
CID 54396173
1-(fluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene
CID 145450835
1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 160749808
5-[2-[(4-methylphenyl)methoxy]phenyl]-1H-1,2,4-triazole
CID 75388829
1-methyl-3-(1H-1,2,4-triazol-5-yl)-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 70513834
5-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
CID 70565393
4-methyl-2-(trifluoromethyl)aniline
CID 2737710

Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[4-methyl-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole (CID 174633891) is 5-[4-methyl-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[4-methyl-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[4-methyl-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole is Cc1ccc(-c2ncn[nH]2)c(C(F)(F)F)c1.
What is the InChIKey of 5-[4-methyl-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole?
The InChIKey is MGGZKYAHWPTIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3/c1-6-2-3-7(9-14-5-15-16-9)8(4-6)10(11,12)13/h2-5H,1H3,(H,14,15,16).
What are the key properties of 5-[4-methyl-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole?
5-[4-methyl-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole has a molecular weight of 227.19 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole is sourced from PubChem (CID 174633891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).