4-(4-chlorophenyl)-5-phenyl-2H-triazole

C14H10ClN3 — CID 14248855

IUPAC4-(4-chlorophenyl)-5-phenyl-2H-triazole
SMILESClc1ccc(-c2n[nH]nc2-c2ccccc2)cc1
InChIInChI=1S/C14H10ClN3/c15-12-8-6-11(7-9-12)14-13(16-18-17-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18)
InChIKeyXJJNXCHOKPSUBB-UHFFFAOYSA-N
MW255.71 g/mol
LogP3.79
Rot. Bonds2

About 4-(4-chlorophenyl)-5-phenyl-2H-triazole

4-(4-chlorophenyl)-5-phenyl-2H-triazole (PubChem CID 14248855) has the molecular formula C14H10ClN3 and a molecular weight of 255.71 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-phenyl-2H-triazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-phenyl-2H-triazole
PubChem CID14248855
Molecular FormulaC14H10ClN3
Molecular Weight255.71 g/mol
Exact Mass255.06
IUPAC Name4-(4-chlorophenyl)-5-phenyl-2H-triazole
SMILESClc1ccc(-c2n[nH]nc2-c2ccccc2)cc1
InChIInChI=1S/C14H10ClN3/c15-12-8-6-11(7-9-12)14-13(16-18-17-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18)
InChIKeyXJJNXCHOKPSUBB-UHFFFAOYSA-N
XLogP3.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-chlorophenyl)-5-phenyl-2H-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-phenyl-2H-triazole?
The IUPAC name of 4-(4-chlorophenyl)-5-phenyl-2H-triazole (CID 14248855) is 4-(4-chlorophenyl)-5-phenyl-2H-triazole.
What is the SMILES notation for 4-(4-chlorophenyl)-5-phenyl-2H-triazole?
The canonical SMILES for 4-(4-chlorophenyl)-5-phenyl-2H-triazole is Clc1ccc(-c2n[nH]nc2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-phenyl-2H-triazole?
The InChIKey is XJJNXCHOKPSUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3/c15-12-8-6-11(7-9-12)14-13(16-18-17-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18).
What are the key properties of 4-(4-chlorophenyl)-5-phenyl-2H-triazole?
4-(4-chlorophenyl)-5-phenyl-2H-triazole has a molecular weight of 255.71 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-phenyl-2H-triazole is sourced from PubChem (CID 14248855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).