5-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methyl-1,2,4-triazole

C15H11ClFN3 — CID 14531280

IUPAC5-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methyl-1,2,4-triazole
SMILESCc1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H11ClFN3/c1-10-18-15(11-2-4-12(16)5-3-11)20(19-10)14-8-6-13(17)7-9-14/h2-9H,1H3
InChIKeyOEDXHUGLXYWWMU-UHFFFAOYSA-N
MW287.73 g/mol
LogP4.04
Rot. Bonds2

About 5-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methyl-1,2,4-triazole

5-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methyl-1,2,4-triazole (PubChem CID 14531280) has the molecular formula C15H11ClFN3 and a molecular weight of 287.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methyl-1,2,4-triazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methyl-1,2,4-triazole
PubChem CID14531280
Molecular FormulaC15H11ClFN3
Molecular Weight287.73 g/mol
Exact Mass287.06
IUPAC Name5-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methyl-1,2,4-triazole
SMILESCc1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H11ClFN3/c1-10-18-15(11-2-4-12(16)5-3-11)20(19-10)14-8-6-13(17)7-9-14/h2-9H,1H3
InChIKeyOEDXHUGLXYWWMU-UHFFFAOYSA-N
XLogP4.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole
CID 13163603
1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-methylsulfanyl-1,2,4-triazole
CID 14614471
1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole
CID 14027597
5-(4-chlorophenyl)-1-(4-fluorophenyl)-1,2,4-triazole-3-carboxylic acid
CID 14531295
1-(4-chlorophenyl)-N,5-bis(4-fluorophenyl)-1,2,4-triazole-3-carboxamide
CID 124786561
1-(4-fluorophenyl)-3-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole
CID 50980537
[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
CID 82470262
4-[5-chloro-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine
CID 30032776
1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1,2,4-triazole-3-carbonitrile
CID 10781262
5-(4-chlorophenyl)-3-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole
CID 54568096
N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2141048
1-(4-chlorophenyl)-3-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3303940

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methyl-1,2,4-triazole?
The IUPAC name of 5-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methyl-1,2,4-triazole (CID 14531280) is 5-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methyl-1,2,4-triazole.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methyl-1,2,4-triazole?
The canonical SMILES for 5-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methyl-1,2,4-triazole is Cc1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methyl-1,2,4-triazole?
The InChIKey is OEDXHUGLXYWWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3/c1-10-18-15(11-2-4-12(16)5-3-11)20(19-10)14-8-6-13(17)7-9-14/h2-9H,1H3.
What are the key properties of 5-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methyl-1,2,4-triazole?
5-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methyl-1,2,4-triazole has a molecular weight of 287.73 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methyl-1,2,4-triazole is sourced from PubChem (CID 14531280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).