1-(4-bromo-2-fluorophenyl)-5-phenyl-1,2,4-triazole

C14H9BrFN3 — CID 2848121

IUPAC1-(4-bromo-2-fluorophenyl)-5-phenyl-1,2,4-triazole
SMILESFc1cc(Br)ccc1-n1ncnc1-c1ccccc1
InChIInChI=1S/C14H9BrFN3/c15-11-6-7-13(12(16)8-11)19-14(17-9-18-19)10-4-2-1-3-5-10/h1-9H
InChIKeyUXJFIBUQRGSBAX-UHFFFAOYSA-N
MW318.15 g/mol
LogP3.84
Rot. Bonds2

About 1-(4-bromo-2-fluorophenyl)-5-phenyl-1,2,4-triazole

1-(4-bromo-2-fluorophenyl)-5-phenyl-1,2,4-triazole (PubChem CID 2848121) has the molecular formula C14H9BrFN3 and a molecular weight of 318.15 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-5-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-5-phenyl-1,2,4-triazole
PubChem CID2848121
Molecular FormulaC14H9BrFN3
Molecular Weight318.15 g/mol
Exact Mass317.00
IUPAC Name1-(4-bromo-2-fluorophenyl)-5-phenyl-1,2,4-triazole
SMILESFc1cc(Br)ccc1-n1ncnc1-c1ccccc1
InChIInChI=1S/C14H9BrFN3/c15-11-6-7-13(12(16)8-11)19-14(17-9-18-19)10-4-2-1-3-5-10/h1-9H
InChIKeyUXJFIBUQRGSBAX-UHFFFAOYSA-N
XLogP3.84
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-5-phenyl-1,2,4-triazole?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-5-phenyl-1,2,4-triazole (CID 2848121) is 1-(4-bromo-2-fluorophenyl)-5-phenyl-1,2,4-triazole.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-5-phenyl-1,2,4-triazole?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-5-phenyl-1,2,4-triazole is Fc1cc(Br)ccc1-n1ncnc1-c1ccccc1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-5-phenyl-1,2,4-triazole?
The InChIKey is UXJFIBUQRGSBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3/c15-11-6-7-13(12(16)8-11)19-14(17-9-18-19)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-5-phenyl-1,2,4-triazole?
1-(4-bromo-2-fluorophenyl)-5-phenyl-1,2,4-triazole has a molecular weight of 318.15 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-5-phenyl-1,2,4-triazole is sourced from PubChem (CID 2848121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).