2-(4-chloro-2-methylphenyl)triazole;tris(2-(2,4-dimethylphenyl)triazole);2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole

C69H74ClN21O — CID 157175828

About 2-(4-chloro-2-methylphenyl)triazole;tris(2-(2,4-dimethylphenyl)triazole);2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole

2-(4-chloro-2-methylphenyl)triazole;tris(2-(2,4-dimethylphenyl)triazole);2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole (PubChem CID 157175828) has the molecular formula C69H74ClN21O and a molecular weight of 1248.95 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenyl)triazole;tris(2-(2,4-dimethylphenyl)triazole);2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole.

Molecular Properties

• Compound Name: 2-(4-chloro-2-methylphenyl)triazole;tris(2-(2,4-dimethylphenyl)triazole);2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole
• PubChem CID: 157175828
• Molecular Formula: C69H74ClN21O
• Molecular Weight: 1248.95 g/mol
• Exact Mass: 1247.61
• IUPAC Name: 2-(4-chloro-2-methylphenyl)triazole;tris(2-(2,4-dimethylphenyl)triazole);2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole
• SMILES: COc1ccc(-n2nccn2)c(C)c1.Cc1cc(C)c(-n2nccn2)cc1C.Cc1cc(Cl)ccc1-n1nccn1.Cc1ccc(-n2nccn2)c(C)c1.Cc1ccc(-n2nccn2)c(C)c1.Cc1ccc(-n2nccn2)c(C)c1.Cc1ccccc1-n1nccn1
• InChI: InChI=1S/C11H13N3.C10H11N3O.3C10H11N3.C9H8ClN3.C9H9N3/c1-8-6-10(3)11(7-9(8)2)14-12-4-5-13-14;1-8-7-9(14-2)3-4-10(8)13-11-5-6-12-13;3*1-8-3-4-10(9(2)7-8)13-11-5-6-12-13;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;3-7H,1-2H3;3*3-7H,1-2H3;2-6H,1H3;2-7H,1H3
• InChIKey: ANZJVEOFRAUOSA-UHFFFAOYSA-N
• XLogP: 13.23
• TPSA: 224.20 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 8
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1248.95
LogP ≤ 5	13.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of 2-(4-chloro-2-methylphenyl)triazole;tris(2-(2,4-dimethylphenyl)triazole);2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole (CID 157175828) is 2-(4-chloro-2-methylphenyl)triazole;tris(2-(2,4-dimethylphenyl)triazole);2-(4-methoxy-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;tris(2-(2,4-dimethylphenyl)triazole);2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole?

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

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

The InChIKey is ANZJVEOFRAUOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.C10H11N3O.3C10H11N3.C9H8ClN3.C9H9N3/c1-8-6-10(3)11(7-9(8)2)14-12-4-5-13-14;1-8-7-9(14-2)3-4-10(8)13-11-5-6-12-13;3*1-8-3-4-10(9(2)7-8)13-11-5-6-12-13;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;3-7H,1-2H3;3*3-7H,1-2H3;2-6H,1H3;2-7H,1H3.

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

2-(4-chloro-2-methylphenyl)triazole;tris(2-(2,4-dimethylphenyl)triazole);2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole has a molecular weight of 1248.95 g/mol, XLogP of 13.23, 8 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-2-methylphenyl)triazole;tris(2-(2,4-dimethylphenyl)triazole);2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole is sourced from PubChem (CID 157175828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).