5-chloro-1-(4-fluorophenyl)-3-phenyl-1,2,4-triazole

C14H9ClFN3 — CID 30032544

IUPAC5-chloro-1-(4-fluorophenyl)-3-phenyl-1,2,4-triazole
SMILESFc1ccc(-n2nc(-c3ccccc3)nc2Cl)cc1
InChIInChI=1S/C14H9ClFN3/c15-14-17-13(10-4-2-1-3-5-10)18-19(14)12-8-6-11(16)7-9-12/h1-9H
InChIKeyWKBBCGUQWWPQAS-UHFFFAOYSA-N
MW273.70 g/mol
LogP3.73
Rot. Bonds2

About 5-chloro-1-(4-fluorophenyl)-3-phenyl-1,2,4-triazole

5-chloro-1-(4-fluorophenyl)-3-phenyl-1,2,4-triazole (PubChem CID 30032544) has the molecular formula C14H9ClFN3 and a molecular weight of 273.70 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-3-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name5-chloro-1-(4-fluorophenyl)-3-phenyl-1,2,4-triazole
PubChem CID30032544
Molecular FormulaC14H9ClFN3
Molecular Weight273.70 g/mol
Exact Mass273.05
IUPAC Name5-chloro-1-(4-fluorophenyl)-3-phenyl-1,2,4-triazole
SMILESFc1ccc(-n2nc(-c3ccccc3)nc2Cl)cc1
InChIInChI=1S/C14H9ClFN3/c15-14-17-13(10-4-2-1-3-5-10)18-19(14)12-8-6-11(16)7-9-12/h1-9H
InChIKeyWKBBCGUQWWPQAS-UHFFFAOYSA-N
XLogP3.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.70
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-phenyl-1,2,4-triazole?
The IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-phenyl-1,2,4-triazole (CID 30032544) is 5-chloro-1-(4-fluorophenyl)-3-phenyl-1,2,4-triazole.
What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-3-phenyl-1,2,4-triazole?
The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-3-phenyl-1,2,4-triazole is Fc1ccc(-n2nc(-c3ccccc3)nc2Cl)cc1.
What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-3-phenyl-1,2,4-triazole?
The InChIKey is WKBBCGUQWWPQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3/c15-14-17-13(10-4-2-1-3-5-10)18-19(14)12-8-6-11(16)7-9-12/h1-9H.
What are the key properties of 5-chloro-1-(4-fluorophenyl)-3-phenyl-1,2,4-triazole?
5-chloro-1-(4-fluorophenyl)-3-phenyl-1,2,4-triazole has a molecular weight of 273.70 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluorophenyl)-3-phenyl-1,2,4-triazole is sourced from PubChem (CID 30032544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).