5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)-1,2,4-triazole

C15H9BrF3N3 — CID 22226787

IUPAC5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)-1,2,4-triazole
SMILESFC(F)(F)c1nc(-c2ccc(Br)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C15H9BrF3N3/c16-11-8-6-10(7-9-11)13-20-14(15(17,18)19)21-22(13)12-4-2-1-3-5-12/h1-9H
InChIKeyOSTCYBYGDHHNIQ-UHFFFAOYSA-N
MW368.16 g/mol
LogP4.72
Rot. Bonds2

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

5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)-1,2,4-triazole (PubChem CID 22226787) has the molecular formula C15H9BrF3N3 and a molecular weight of 368.16 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)-1,2,4-triazole
PubChem CID22226787
Molecular FormulaC15H9BrF3N3
Molecular Weight368.16 g/mol
Exact Mass366.99
IUPAC Name5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)-1,2,4-triazole
SMILESFC(F)(F)c1nc(-c2ccc(Br)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C15H9BrF3N3/c16-11-8-6-10(7-9-11)13-20-14(15(17,18)19)21-22(13)12-4-2-1-3-5-12/h1-9H
InChIKeyOSTCYBYGDHHNIQ-UHFFFAOYSA-N
XLogP4.72
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.16
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)-1,2,4-triazole (CID 22226787) is 5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)-1,2,4-triazole is FC(F)(F)c1nc(-c2ccc(Br)cc2)n(-c2ccccc2)n1.
What is the InChIKey of 5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is OSTCYBYGDHHNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF3N3/c16-11-8-6-10(7-9-11)13-20-14(15(17,18)19)21-22(13)12-4-2-1-3-5-12/h1-9H.
What are the key properties of 5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)-1,2,4-triazole?
5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 368.16 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 22226787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).