5-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole

C22H16F3N3 — CID 70476522

IUPAC5-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole
SMILESFC(F)(F)c1cccc(C(c2ccccc2)(c2ccccc2)c2ncn[nH]2)c1
InChIInChI=1S/C22H16F3N3/c23-22(24,25)19-13-7-12-18(14-19)21(20-26-15-27-28-20,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-15H,(H,26,27,28)
InChIKeyMUFRSCWYEQGUOQ-UHFFFAOYSA-N
MW379.39 g/mol
LogP5.21
Rot. Bonds4

About 5-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole

5-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole (PubChem CID 70476522) has the molecular formula C22H16F3N3 and a molecular weight of 379.39 g/mol. Its IUPAC name is 5-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole
PubChem CID70476522
Molecular FormulaC22H16F3N3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name5-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole
SMILESFC(F)(F)c1cccc(C(c2ccccc2)(c2ccccc2)c2ncn[nH]2)c1
InChIInChI=1S/C22H16F3N3/c23-22(24,25)19-13-7-12-18(14-19)21(20-26-15-27-28-20,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-15H,(H,26,27,28)
InChIKeyMUFRSCWYEQGUOQ-UHFFFAOYSA-N
XLogP5.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.39
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;5-(trifluoromethyl)-1H-1,2,4-triazole
CID 175347960
5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-1,2,4-triazole
CID 1490765
5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazole;ethane
CID 142400279
1-methyl-3-(1H-1,2,4-triazol-5-yl)-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 70513834
3-hydroxy-4-[(E)-1H-1,2,4-triazol-5-yliminomethyl]-2-[3-(trifluoromethyl)phenyl]isoquinolin-1-one
CID 135591202
5-(3-tert-butylphenyl)-1H-1,2,4-triazole
CID 58412583
N-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65360501
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64547950
3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carbaldehyde
CID 62111840
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
1,1,2,2-tetrakis[3-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 3857608

Frequently Asked Questions

What is the IUPAC name of 5-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole (CID 70476522) is 5-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole is FC(F)(F)c1cccc(C(c2ccccc2)(c2ccccc2)c2ncn[nH]2)c1.
What is the InChIKey of 5-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole?
The InChIKey is MUFRSCWYEQGUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3/c23-22(24,25)19-13-7-12-18(14-19)21(20-26-15-27-28-20,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-15H,(H,26,27,28).
What are the key properties of 5-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole?
5-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole has a molecular weight of 379.39 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole is sourced from PubChem (CID 70476522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).