1-(4-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-triazole

C14H9ClFN3 — CID 3816794

IUPAC1-(4-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-triazole
SMILESFc1ccc(-c2ncnn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H9ClFN3/c15-11-3-7-13(8-4-11)19-14(17-9-18-19)10-1-5-12(16)6-2-10/h1-9H
InChIKeyLELIAOHHSCXYDW-UHFFFAOYSA-N
MW273.70 g/mol
LogP3.73
Rot. Bonds2

About 1-(4-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-triazole

1-(4-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-triazole (PubChem CID 3816794) has the molecular formula C14H9ClFN3 and a molecular weight of 273.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-triazole
PubChem CID3816794
Molecular FormulaC14H9ClFN3
Molecular Weight273.70 g/mol
Exact Mass273.05
IUPAC Name1-(4-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-triazole
SMILESFc1ccc(-c2ncnn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H9ClFN3/c15-11-3-7-13(8-4-11)19-14(17-9-18-19)10-1-5-12(16)6-2-10/h1-9H
InChIKeyLELIAOHHSCXYDW-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 1-(4-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-triazole?
The IUPAC name of 1-(4-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-triazole (CID 3816794) is 1-(4-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-triazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-triazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-triazole is Fc1ccc(-c2ncnn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-triazole?
The InChIKey is LELIAOHHSCXYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3/c15-11-3-7-13(8-4-11)19-14(17-9-18-19)10-1-5-12(16)6-2-10/h1-9H.
What are the key properties of 1-(4-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-triazole?
1-(4-chlorophenyl)-5-(4-fluorophenyl)-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 1-(4-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-triazole is sourced from PubChem (CID 3816794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).