5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine

C26H17F3N4 — CID 130289525

IUPAC5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)nn2-c2ccccc2)cn1
InChIInChI=1S/C26H17F3N4/c27-26(28,29)23-15-14-21(17-30-23)25-31-24(32-33(25)22-12-5-2-6-13-22)20-11-7-10-19(16-20)18-8-3-1-4-9-18/h1-17H
InChIKeyXXOUXIRXZQAKSN-UHFFFAOYSA-N
MW442.44 g/mol
LogP6.68
Rot. Bonds4

About 5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine

5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine (PubChem CID 130289525) has the molecular formula C26H17F3N4 and a molecular weight of 442.44 g/mol. Its IUPAC name is 5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine
PubChem CID130289525
Molecular FormulaC26H17F3N4
Molecular Weight442.44 g/mol
Exact Mass442.14
IUPAC Name5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)nn2-c2ccccc2)cn1
InChIInChI=1S/C26H17F3N4/c27-26(28,29)23-15-14-21(17-30-23)25-31-24(32-33(25)22-12-5-2-6-13-22)20-11-7-10-19(16-20)18-8-3-1-4-9-18/h1-17H
InChIKeyXXOUXIRXZQAKSN-UHFFFAOYSA-N
XLogP6.68
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.44
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine (CID 130289525) is 5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)nn2-c2ccccc2)cn1.
What is the InChIKey of 5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine?
The InChIKey is XXOUXIRXZQAKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N4/c27-26(28,29)23-15-14-21(17-30-23)25-31-24(32-33(25)22-12-5-2-6-13-22)20-11-7-10-19(16-20)18-8-3-1-4-9-18/h1-17H.
What are the key properties of 5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine?
5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine has a molecular weight of 442.44 g/mol, XLogP of 6.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 130289525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).