1-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole

C15H9ClF3N3 — CID 139033794

IUPAC1-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole
SMILESFC(F)(F)c1nc(-c2ccccc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H9ClF3N3/c16-11-6-8-12(9-7-11)22-14(15(17,18)19)20-13(21-22)10-4-2-1-3-5-10/h1-9H
InChIKeyXMMNLUIBBSFVMP-UHFFFAOYSA-N
MW323.71 g/mol
LogP4.61
Rot. Bonds2

About 1-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole

1-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole (PubChem CID 139033794) has the molecular formula C15H9ClF3N3 and a molecular weight of 323.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole
PubChem CID139033794
Molecular FormulaC15H9ClF3N3
Molecular Weight323.71 g/mol
Exact Mass323.04
IUPAC Name1-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole
SMILESFC(F)(F)c1nc(-c2ccccc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H9ClF3N3/c16-11-6-8-12(9-7-11)22-14(15(17,18)19)20-13(21-22)10-4-2-1-3-5-10/h1-9H
InChIKeyXMMNLUIBBSFVMP-UHFFFAOYSA-N
XLogP4.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.71
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 1-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole (CID 139033794) is 1-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 1-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 1-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole is FC(F)(F)c1nc(-c2ccccc2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is XMMNLUIBBSFVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3/c16-11-6-8-12(9-7-11)22-14(15(17,18)19)20-13(21-22)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 1-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole?
1-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 323.71 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 139033794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).