5-(2-chlorophenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole

C15H12ClN3 — CID 4730439

IUPAC5-(2-chlorophenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole
SMILESCc1ccc(-c2n[nH]c(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C15H12ClN3/c1-10-6-8-11(9-7-10)14-17-15(19-18-14)12-4-2-3-5-13(12)16/h2-9H,1H3,(H,17,18,19)
InChIKeyUJBORAVMXAQDBE-UHFFFAOYSA-N
MW269.74 g/mol
LogP4.10
Rot. Bonds2

About 5-(2-chlorophenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole

5-(2-chlorophenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole (PubChem CID 4730439) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole
PubChem CID4730439
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name5-(2-chlorophenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole
SMILESCc1ccc(-c2n[nH]c(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C15H12ClN3/c1-10-6-8-11(9-7-10)14-17-15(19-18-14)12-4-2-3-5-13(12)16/h2-9H,1H3,(H,17,18,19)
InChIKeyUJBORAVMXAQDBE-UHFFFAOYSA-N
XLogP4.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 107051661
5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62830136
4-chloro-3-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 61354596
2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone;hydrobromide
CID 163342807
2-methyl-3-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 62947410
5-(2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 61343278
N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 61354389
3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole
CID 150089010
5-(3-ethyl-2-methylphenyl)-3-phenyl-1H-1,2,4-triazole
CID 67608486
5-(5-methyl-2-nitrophenyl)-3-phenyl-1H-1,2,4-triazole
CID 101494239
5-(4-chloro-2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 61354585
ethane;5-methyl-3-(4-methylphenyl)-1H-1,2,4-triazole
CID 143974565

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(2-chlorophenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole (CID 4730439) is 5-(2-chlorophenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-chlorophenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-chlorophenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole is Cc1ccc(-c2n[nH]c(-c3ccccc3Cl)n2)cc1.
What is the InChIKey of 5-(2-chlorophenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole?
The InChIKey is UJBORAVMXAQDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c1-10-6-8-11(9-7-10)14-17-15(19-18-14)12-4-2-3-5-13(12)16/h2-9H,1H3,(H,17,18,19).
What are the key properties of 5-(2-chlorophenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole?
5-(2-chlorophenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole has a molecular weight of 269.74 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 4730439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).