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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Related Compounds

3-biphenyl-4-yl-4-(2-fluorophenyl)-5-isopropyl-4H-1,2,4-triazole
CID 22019234
1H-Tetrazole, 1,5-diphenyl-
CID 139033
1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl-
CID 821736
3,4,5-Triphenyl-1,2,4-triazole
CID 626762
3-chloro-4,5-diphenyl-4H-1,2,4-triazole
CID 12267314
1-(4-methylphenyl)-5-phenyl-1H-tetrazole
CID 3638362
1-(2-Methylphenyl)-5-phenyl-1H-tetrazole
CID 2054464
1H-1,2,4-Triazole, 1,3,5-triphenyl-
CID 563249
3,4-Diphenyl-4H-1,2,4-triazole
CID 5199040
2-(4-Fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 753357
5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-amine
CID 2951125
3-Biphenyl-4-yl-5-ethyl-4-(2-fluorophenyl)-1,2,4-triazole
CID 50993656

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).