2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(2-chloro-6-methylphenyl)triazole;2-(4,5-difluoro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(5-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-isocyano-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(5-methoxy-2-methylphenyl)triazole;2-[2-methyl-6-(trifluoromethyl)phenyl]triazole;2-(2,4,6-trimethylphenyl)triazole

C130H130Cl3F7N40O6 — CID 159007640

About 2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(2-chloro-6-methylphenyl)triazole;2-(4,5-difluoro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(5-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-isocyano-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(5-methoxy-2-methylphenyl)triazole;2-[2-methyl-6-(trifluoromethyl)phenyl]triazole;2-(2,4,6-trimethylphenyl)triazole

2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(2-chloro-6-methylphenyl)triazole;2-(4,5-difluoro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(5-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-isocyano-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(5-methoxy-2-methylphenyl)triazole;2-[2-methyl-6-(trifluoromethyl)phenyl]triazole;2-(2,4,6-trimethylphenyl)triazole (PubChem CID 159007640) has the molecular formula C130H130Cl3F7N40O6 and a molecular weight of 2588.09 g/mol. Its IUPAC name is 2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(2-chloro-6-methylphenyl)triazole;2-(4,5-difluoro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(5-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-isocyano-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(5-methoxy-2-methylphenyl)triazole;2-[2-methyl-6-(trifluoromethyl)phenyl]triazole;2-(2,4,6-trimethylphenyl)triazole.

Molecular Properties

• Compound Name: 2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(2-chloro-6-methylphenyl)triazole;2-(4,5-difluoro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(5-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-isocyano-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(5-methoxy-2-methylphenyl)triazole;2-[2-methyl-6-(trifluoromethyl)phenyl]triazole;2-(2,4,6-trimethylphenyl)triazole
• PubChem CID: 159007640
• Molecular Formula: C130H130Cl3F7N40O6
• Molecular Weight: 2588.09 g/mol
• Exact Mass: 2585.01
• IUPAC Name: 2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(2-chloro-6-methylphenyl)triazole;2-(4,5-difluoro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(5-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-isocyano-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(5-methoxy-2-methylphenyl)triazole;2-[2-methyl-6-(trifluoromethyl)phenyl]triazole;2-(2,4,6-trimethylphenyl)triazole
• SMILES: COc1cc(C)c(-n2nccn2)cc1C.COc1cc(C)c(-n2nccn2)cc1Cl.COc1cc(C)c(-n2nccn2)cc1F.COc1cc(C)c(-n2nccn2)cc1OC.COc1ccc(C)c(-n2nccn2)c1.Cc1c(F)cccc1-n1nccn1.Cc1cc(-n2nccn2)c(C)cc1Cl.Cc1cc(C)c(-n2nccn2)c(C)c1.Cc1cc(F)c(F)cc1-n1nccn1.Cc1cccc(-n2nccn2)c1C.Cc1cccc(C(F)(F)F)c1-n1nccn1.Cc1cccc(Cl)c1-n1nccn1.[C-]#[N+]c1ccc(-n2nccn2)c(C)c1
• InChI: InChI=1S/C11H13N3O2.C11H13N3O.C11H13N3.C10H10ClN3O.C10H10ClN3.C10H8F3N3.C10H10FN3O.C10H8N4.C10H11N3O.C10H11N3.C9H8ClN3.C9H7F2N3.C9H8FN3/c1-8-6-10(15-2)11(16-3)7-9(8)14-12-4-5-13-14;1-8-7-11(15-3)9(2)6-10(8)14-12-4-5-13-14;1-8-6-9(2)11(10(3)7-8)14-12-4-5-13-14;1-7-5-10(15-2)8(11)6-9(7)14-12-3-4-13-14;1-7-6-10(8(2)5-9(7)11)14-12-3-4-13-14;1-7-3-2-4-8(10(11,12)13)9(7)16-14-5-6-15-16;1-7-5-10(15-2)8(11)6-9(7)14-12-3-4-13-14;1-8-7-9(11-2)3-4-10(8)14-12-5-6-13-14;1-8-3-4-9(14-2)7-10(8)13-11-5-6-12-13;1-8-4-3-5-10(9(8)2)13-11-6-7-12-13;1-7-3-2-4-8(10)9(7)13-11-5-6-12-13;1-6-4-7(10)8(11)5-9(6)14-12-2-3-13-14;1-7-8(10)3-2-4-9(7)13-11-5-6-12-13/h4-7H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;2-6H,1H3;3-6H,1-2H3;3-7H,1H3;3-7H,1-2H3;3-7H,1-2H3;2-6H,1H3;2-5H,1H3;2-6H,1H3
• InChIKey: JSCQGHGOTCQGMY-UHFFFAOYSA-N
• XLogP: 26.16
• TPSA: 458.97 Ų
• H-Bond Acceptors: 45
• Rotatable Bonds: 19
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2588.09
LogP ≤ 5	26.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(2-chloro-6-methylphenyl)triazole;2-(4,5-difluoro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(5-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-isocyano-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(5-methoxy-2-methylphenyl)triazole;2-[2-methyl-6-(trifluoromethyl)phenyl]triazole;2-(2,4,6-trimethylphenyl)triazole?

The IUPAC name of 2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(2-chloro-6-methylphenyl)triazole;2-(4,5-difluoro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(5-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-isocyano-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(5-methoxy-2-methylphenyl)triazole;2-[2-methyl-6-(trifluoromethyl)phenyl]triazole;2-(2,4,6-trimethylphenyl)triazole (CID 159007640) is 2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(2-chloro-6-methylphenyl)triazole;2-(4,5-difluoro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(5-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-isocyano-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(5-methoxy-2-methylphenyl)triazole;2-[2-methyl-6-(trifluoromethyl)phenyl]triazole;2-(2,4,6-trimethylphenyl)triazole.

What is the SMILES notation for 2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(2-chloro-6-methylphenyl)triazole;2-(4,5-difluoro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(5-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-isocyano-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(5-methoxy-2-methylphenyl)triazole;2-[2-methyl-6-(trifluoromethyl)phenyl]triazole;2-(2,4,6-trimethylphenyl)triazole?

The canonical SMILES for 2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(2-chloro-6-methylphenyl)triazole;2-(4,5-difluoro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(5-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-isocyano-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(5-methoxy-2-methylphenyl)triazole;2-[2-methyl-6-(trifluoromethyl)phenyl]triazole;2-(2,4,6-trimethylphenyl)triazole is COc1cc(C)c(-n2nccn2)cc1C.COc1cc(C)c(-n2nccn2)cc1Cl.COc1cc(C)c(-n2nccn2)cc1F.COc1cc(C)c(-n2nccn2)cc1OC.COc1ccc(C)c(-n2nccn2)c1.Cc1c(F)cccc1-n1nccn1.Cc1cc(-n2nccn2)c(C)cc1Cl.Cc1cc(C)c(-n2nccn2)c(C)c1.Cc1cc(F)c(F)cc1-n1nccn1.Cc1cccc(-n2nccn2)c1C.Cc1cccc(C(F)(F)F)c1-n1nccn1.Cc1cccc(Cl)c1-n1nccn1.[C-]#[N+]c1ccc(-n2nccn2)c(C)c1.

What is the InChIKey of 2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(2-chloro-6-methylphenyl)triazole;2-(4,5-difluoro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(5-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-isocyano-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(5-methoxy-2-methylphenyl)triazole;2-[2-methyl-6-(trifluoromethyl)phenyl]triazole;2-(2,4,6-trimethylphenyl)triazole?

The InChIKey is JSCQGHGOTCQGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2.C11H13N3O.C11H13N3.C10H10ClN3O.C10H10ClN3.C10H8F3N3.C10H10FN3O.C10H8N4.C10H11N3O.C10H11N3.C9H8ClN3.C9H7F2N3.C9H8FN3/c1-8-6-10(15-2)11(16-3)7-9(8)14-12-4-5-13-14;1-8-7-11(15-3)9(2)6-10(8)14-12-4-5-13-14;1-8-6-9(2)11(10(3)7-8)14-12-4-5-13-14;1-7-5-10(15-2)8(11)6-9(7)14-12-3-4-13-14;1-7-6-10(8(2)5-9(7)11)14-12-3-4-13-14;1-7-3-2-4-8(10(11,12)13)9(7)16-14-5-6-15-16;1-7-5-10(15-2)8(11)6-9(7)14-12-3-4-13-14;1-8-7-9(11-2)3-4-10(8)14-12-5-6-13-14;1-8-3-4-9(14-2)7-10(8)13-11-5-6-12-13;1-8-4-3-5-10(9(8)2)13-11-6-7-12-13;1-7-3-2-4-8(10)9(7)13-11-5-6-12-13;1-6-4-7(10)8(11)5-9(6)14-12-2-3-13-14;1-7-8(10)3-2-4-9(7)13-11-5-6-12-13/h4-7H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;2-6H,1H3;3-6H,1-2H3;3-7H,1H3;3-7H,1-2H3;3-7H,1-2H3;2-6H,1H3;2-5H,1H3;2-6H,1H3.

What are the key properties of 2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(2-chloro-6-methylphenyl)triazole;2-(4,5-difluoro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(5-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-isocyano-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(5-methoxy-2-methylphenyl)triazole;2-[2-methyl-6-(trifluoromethyl)phenyl]triazole;2-(2,4,6-trimethylphenyl)triazole?

2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(2-chloro-6-methylphenyl)triazole;2-(4,5-difluoro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(5-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-isocyano-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(5-methoxy-2-methylphenyl)triazole;2-[2-methyl-6-(trifluoromethyl)phenyl]triazole;2-(2,4,6-trimethylphenyl)triazole has a molecular weight of 2588.09 g/mol, XLogP of 26.16, 19 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(2-chloro-6-methylphenyl)triazole;2-(4,5-difluoro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(5-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-isocyano-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(5-methoxy-2-methylphenyl)triazole;2-[2-methyl-6-(trifluoromethyl)phenyl]triazole;2-(2,4,6-trimethylphenyl)triazole is sourced from PubChem (CID 159007640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).