2-(4-chloro-2-methylphenyl)triazole;1-(2,4-dimethylphenyl)pyrazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole

C79H81ClF3N23O — CID 161150744

About 2-(4-chloro-2-methylphenyl)triazole;1-(2,4-dimethylphenyl)pyrazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole

2-(4-chloro-2-methylphenyl)triazole;1-(2,4-dimethylphenyl)pyrazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole (PubChem CID 161150744) has the molecular formula C79H81ClF3N23O and a molecular weight of 1461.12 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenyl)triazole;1-(2,4-dimethylphenyl)pyrazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole.

Molecular Properties

• Compound Name: 2-(4-chloro-2-methylphenyl)triazole;1-(2,4-dimethylphenyl)pyrazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole
• PubChem CID: 161150744
• Molecular Formula: C79H81ClF3N23O
• Molecular Weight: 1461.12 g/mol
• Exact Mass: 1459.66
• IUPAC Name: 2-(4-chloro-2-methylphenyl)triazole;1-(2,4-dimethylphenyl)pyrazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole
• SMILES: COc1ccc(-n2nccn2)c(C)c1F.Cc1cc(C)c(-n2nccn2)cc1C.Cc1cc(Cl)ccc1-n1nccn1.Cc1cc(F)ccc1-n1nccn1.Cc1ccc(-n2cccn2)c(C)c1.Cc1ccc(-n2nccn2)c(C)c1F.Cc1ccc(C)c(-n2nccn2)c1.Cc1ccccc1-n1nccn1
• InChI: InChI=1S/C11H13N3.C11H12N2.C10H10FN3O.C10H10FN3.C10H11N3.C9H8ClN3.C9H8FN3.C9H9N3/c1-8-6-10(3)11(7-9(8)2)14-12-4-5-13-14;1-9-4-5-11(10(2)8-9)13-7-3-6-12-13;1-7-8(14-12-5-6-13-14)3-4-9(15-2)10(7)11;1-7-3-4-9(8(2)10(7)11)14-12-5-6-13-14;1-8-3-4-9(2)10(7-8)13-11-5-6-12-13;2*1-7-6-8(10)2-3-9(7)13-11-4-5-12-13;1-8-4-2-3-5-9(8)12-10-6-7-11-12/h4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;2*2-6H,1H3;2-7H,1H3
• InChIKey: UOQIJDCXEZPLQB-UHFFFAOYSA-N
• XLogP: 15.83
• TPSA: 242.02 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 9
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1461.12
LogP ≤ 5	15.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenyl)triazole;1-(2,4-dimethylphenyl)pyrazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole?

The IUPAC name of 2-(4-chloro-2-methylphenyl)triazole;1-(2,4-dimethylphenyl)pyrazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole (CID 161150744) is 2-(4-chloro-2-methylphenyl)triazole;1-(2,4-dimethylphenyl)pyrazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole.

What is the SMILES notation for 2-(4-chloro-2-methylphenyl)triazole;1-(2,4-dimethylphenyl)pyrazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole?

The canonical SMILES for 2-(4-chloro-2-methylphenyl)triazole;1-(2,4-dimethylphenyl)pyrazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole is COc1ccc(-n2nccn2)c(C)c1F.Cc1cc(C)c(-n2nccn2)cc1C.Cc1cc(Cl)ccc1-n1nccn1.Cc1cc(F)ccc1-n1nccn1.Cc1ccc(-n2cccn2)c(C)c1.Cc1ccc(-n2nccn2)c(C)c1F.Cc1ccc(C)c(-n2nccn2)c1.Cc1ccccc1-n1nccn1.

What is the InChIKey of 2-(4-chloro-2-methylphenyl)triazole;1-(2,4-dimethylphenyl)pyrazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole?

The InChIKey is UOQIJDCXEZPLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.C11H12N2.C10H10FN3O.C10H10FN3.C10H11N3.C9H8ClN3.C9H8FN3.C9H9N3/c1-8-6-10(3)11(7-9(8)2)14-12-4-5-13-14;1-9-4-5-11(10(2)8-9)13-7-3-6-12-13;1-7-8(14-12-5-6-13-14)3-4-9(15-2)10(7)11;1-7-3-4-9(8(2)10(7)11)14-12-5-6-13-14;1-8-3-4-9(2)10(7-8)13-11-5-6-12-13;2*1-7-6-8(10)2-3-9(7)13-11-4-5-12-13;1-8-4-2-3-5-9(8)12-10-6-7-11-12/h4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;2*2-6H,1H3;2-7H,1H3.

What are the key properties of 2-(4-chloro-2-methylphenyl)triazole;1-(2,4-dimethylphenyl)pyrazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole?

2-(4-chloro-2-methylphenyl)triazole;1-(2,4-dimethylphenyl)pyrazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole has a molecular weight of 1461.12 g/mol, XLogP of 15.83, 9 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-2-methylphenyl)triazole;1-(2,4-dimethylphenyl)pyrazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole is sourced from PubChem (CID 161150744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).