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

C14H10ClN3 — CID 13171070

IUPAC5-(4-chlorophenyl)-1-phenyl-1,2,4-triazole
SMILESClc1ccc(-c2ncnn2-c2ccccc2)cc1
InChIInChI=1S/C14H10ClN3/c15-12-8-6-11(7-9-12)14-16-10-17-18(14)13-4-2-1-3-5-13/h1-10H
InChIKeyUOBVLAIBNJMUKA-UHFFFAOYSA-N
MW255.71 g/mol
LogP3.59
Rot. Bonds2

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

5-(4-chlorophenyl)-1-phenyl-1,2,4-triazole (PubChem CID 13171070) has the molecular formula C14H10ClN3 and a molecular weight of 255.71 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-phenyl-1,2,4-triazole
PubChem CID13171070
Molecular FormulaC14H10ClN3
Molecular Weight255.71 g/mol
Exact Mass255.06
IUPAC Name5-(4-chlorophenyl)-1-phenyl-1,2,4-triazole
SMILESClc1ccc(-c2ncnn2-c2ccccc2)cc1
InChIInChI=1S/C14H10ClN3/c15-12-8-6-11(7-9-12)14-16-10-17-18(14)13-4-2-1-3-5-13/h1-10H
InChIKeyUOBVLAIBNJMUKA-UHFFFAOYSA-N
XLogP3.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 870002
4-[2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine
CID 3736424
5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole
CID 13163603
4-(2-pyridin-4-yl-1,2,4-triazol-3-yl)pyridine
CID 40516054
1-tert-butyl-5-(4-chlorophenyl)-1,2,4-triazole
CID 155096322
3-chloro-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole
CID 11077118
1-(3-chlorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-1,2,4-triazole
CID 1356374
2-(4-chlorophenyl)-4,5-diphenyl-1,2,4-triazole-3-thione
CID 10761239
3-(4-chlorophenyl)-1-phenylindazole
CID 102190683
2-(4-chlorophenyl)-1,4-diphenylimidazole
CID 44632179
2-(2-phenyl-1,2,4-triazol-3-yl)ethanamine
CID 84661566
4-(4-chlorophenyl)-1-phenylpyrazole
CID 4152296

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-phenyl-1,2,4-triazole?
The IUPAC name of 5-(4-chlorophenyl)-1-phenyl-1,2,4-triazole (CID 13171070) is 5-(4-chlorophenyl)-1-phenyl-1,2,4-triazole.
What is the SMILES notation for 5-(4-chlorophenyl)-1-phenyl-1,2,4-triazole?
The canonical SMILES for 5-(4-chlorophenyl)-1-phenyl-1,2,4-triazole is Clc1ccc(-c2ncnn2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-phenyl-1,2,4-triazole?
The InChIKey is UOBVLAIBNJMUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3/c15-12-8-6-11(7-9-12)14-16-10-17-18(14)13-4-2-1-3-5-13/h1-10H.
What are the key properties of 5-(4-chlorophenyl)-1-phenyl-1,2,4-triazole?
5-(4-chlorophenyl)-1-phenyl-1,2,4-triazole has a molecular weight of 255.71 g/mol, XLogP of 3.59, 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-phenyl-1,2,4-triazole is sourced from PubChem (CID 13171070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).