1,3-diphenyl-5-(trifluoromethyl)-1,2,4-triazole

C15H10F3N3 — CID 86191531

IUPAC1,3-diphenyl-5-(trifluoromethyl)-1,2,4-triazole
SMILESFC(F)(F)c1nc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C15H10F3N3/c16-15(17,18)14-19-13(11-7-3-1-4-8-11)20-21(14)12-9-5-2-6-10-12/h1-10H
InChIKeyVJUXHTOODWJTEN-UHFFFAOYSA-N
MW289.26 g/mol
LogP3.95
Rot. Bonds2

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

1,3-diphenyl-5-(trifluoromethyl)-1,2,4-triazole (PubChem CID 86191531) has the molecular formula C15H10F3N3 and a molecular weight of 289.26 g/mol. Its IUPAC name is 1,3-diphenyl-5-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1,3-diphenyl-5-(trifluoromethyl)-1,2,4-triazole
PubChem CID86191531
Molecular FormulaC15H10F3N3
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name1,3-diphenyl-5-(trifluoromethyl)-1,2,4-triazole
SMILESFC(F)(F)c1nc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C15H10F3N3/c16-15(17,18)14-19-13(11-7-3-1-4-8-11)20-21(14)12-9-5-2-6-10-12/h1-10H
InChIKeyVJUXHTOODWJTEN-UHFFFAOYSA-N
XLogP3.95
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-5-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 1,3-diphenyl-5-(trifluoromethyl)-1,2,4-triazole (CID 86191531) is 1,3-diphenyl-5-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 1,3-diphenyl-5-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 1,3-diphenyl-5-(trifluoromethyl)-1,2,4-triazole is FC(F)(F)c1nc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 1,3-diphenyl-5-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is VJUXHTOODWJTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3/c16-15(17,18)14-19-13(11-7-3-1-4-8-11)20-21(14)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 1,3-diphenyl-5-(trifluoromethyl)-1,2,4-triazole?
1,3-diphenyl-5-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 289.26 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-5-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 86191531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).