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

C15H10F3N3 — CID 174924567

IUPAC2,4-diphenyl-5-(trifluoromethyl)triazole
SMILESFC(F)(F)c1nn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C15H10F3N3/c16-15(17,18)14-13(11-7-3-1-4-8-11)19-21(20-14)12-9-5-2-6-10-12/h1-10H
InChIKeyMUDLTHDOYNSEFG-UHFFFAOYSA-N
MW289.26 g/mol
LogP3.95
Rot. Bonds2

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

2,4-diphenyl-5-(trifluoromethyl)triazole (PubChem CID 174924567) has the molecular formula C15H10F3N3 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2,4-diphenyl-5-(trifluoromethyl)triazole.

Molecular Properties

Compound Name2,4-diphenyl-5-(trifluoromethyl)triazole
PubChem CID174924567
Molecular FormulaC15H10F3N3
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name2,4-diphenyl-5-(trifluoromethyl)triazole
SMILESFC(F)(F)c1nn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C15H10F3N3/c16-15(17,18)14-13(11-7-3-1-4-8-11)19-21(20-14)12-9-5-2-6-10-12/h1-10H
InChIKeyMUDLTHDOYNSEFG-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 2,4-diphenyl-5-(trifluoromethyl)triazole?
The IUPAC name of 2,4-diphenyl-5-(trifluoromethyl)triazole (CID 174924567) is 2,4-diphenyl-5-(trifluoromethyl)triazole.
What is the SMILES notation for 2,4-diphenyl-5-(trifluoromethyl)triazole?
The canonical SMILES for 2,4-diphenyl-5-(trifluoromethyl)triazole is FC(F)(F)c1nn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2,4-diphenyl-5-(trifluoromethyl)triazole?
The InChIKey is MUDLTHDOYNSEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3/c16-15(17,18)14-13(11-7-3-1-4-8-11)19-21(20-14)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 2,4-diphenyl-5-(trifluoromethyl)triazole?
2,4-diphenyl-5-(trifluoromethyl)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 2,4-diphenyl-5-(trifluoromethyl)triazole is sourced from PubChem (CID 174924567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).