2-(4-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;3-methyl-4-(triazol-2-yl)benzonitrile

C118H120ClF4N37O4 — CID 162024128

About 2-(4-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;3-methyl-4-(triazol-2-yl)benzonitrile

2-(4-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;3-methyl-4-(triazol-2-yl)benzonitrile (PubChem CID 162024128) has the molecular formula C118H120ClF4N37O4 and a molecular weight of 2231.96 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;3-methyl-4-(triazol-2-yl)benzonitrile.

Molecular Properties

• Compound Name: 2-(4-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;3-methyl-4-(triazol-2-yl)benzonitrile
• PubChem CID: 162024128
• Molecular Formula: C118H120ClF4N37O4
• Molecular Weight: 2231.96 g/mol
• Exact Mass: 2229.99
• IUPAC Name: 2-(4-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;3-methyl-4-(triazol-2-yl)benzonitrile
• SMILES: COc1cc(-n2nccn2)c(C)c(C)c1OC.COc1ccc(-n2nccn2)c(C)c1.COc1ccc(-n2nccn2)c(C)c1F.Cc1c(F)cccc1-n1nccn1.Cc1cc(C#N)ccc1-n1nccn1.Cc1cc(Cl)ccc1-n1nccn1.Cc1cc(F)ccc1-n1nccn1.Cc1ccc(-n2nccn2)c(C)c1.Cc1ccc(-n2nccn2)c(C)c1F.Cc1ccc(C)c(-n2nccn2)c1.Cc1cccc(-n2nccn2)c1C.Cc1ccccc1-n1nccn1
• InChI: InChI=1S/C12H15N3O2.C10H10FN3O.C10H10FN3.C10H8N4.C10H11N3O.3C10H11N3.C9H8ClN3.2C9H8FN3.C9H9N3/c1-8-9(2)12(17-4)11(16-3)7-10(8)15-13-5-6-14-15;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;1-8-6-9(7-11)2-3-10(8)14-12-4-5-13-14;1-8-7-9(14-2)3-4-10(8)13-11-5-6-12-13;1-8-3-4-10(9(2)7-8)13-11-5-6-12-13;1-8-3-4-9(2)10(7-8)13-11-5-6-12-13;1-8-4-3-5-10(9(8)2)13-11-6-7-12-13;2*1-7-6-8(10)2-3-9(7)13-11-4-5-12-13;1-7-8(10)3-2-4-9(7)13-11-5-6-12-13;1-8-4-2-3-5-9(8)12-10-6-7-11-12/h5-7H,1-4H3;3-6H,1-2H3;3-6H,1-2H3;2-6H,1H3;3-7H,1-2H3;3*3-7H,1-2H3;3*2-6H,1H3;2-7H,1H3
• InChIKey: YVDHSXFRESRDOF-UHFFFAOYSA-N
• XLogP: 21.57
• TPSA: 429.23 Ų
• H-Bond Acceptors: 41
• Rotatable Bonds: 16
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2231.96
LogP ≤ 5	21.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;3-methyl-4-(triazol-2-yl)benzonitrile?

The IUPAC name of 2-(4-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;3-methyl-4-(triazol-2-yl)benzonitrile (CID 162024128) is 2-(4-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;3-methyl-4-(triazol-2-yl)benzonitrile.

What is the SMILES notation for 2-(4-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;3-methyl-4-(triazol-2-yl)benzonitrile?

The canonical SMILES for 2-(4-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;3-methyl-4-(triazol-2-yl)benzonitrile is COc1cc(-n2nccn2)c(C)c(C)c1OC.COc1ccc(-n2nccn2)c(C)c1.COc1ccc(-n2nccn2)c(C)c1F.Cc1c(F)cccc1-n1nccn1.Cc1cc(C#N)ccc1-n1nccn1.Cc1cc(Cl)ccc1-n1nccn1.Cc1cc(F)ccc1-n1nccn1.Cc1ccc(-n2nccn2)c(C)c1.Cc1ccc(-n2nccn2)c(C)c1F.Cc1ccc(C)c(-n2nccn2)c1.Cc1cccc(-n2nccn2)c1C.Cc1ccccc1-n1nccn1.

What is the InChIKey of 2-(4-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;3-methyl-4-(triazol-2-yl)benzonitrile?

The InChIKey is YVDHSXFRESRDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2.C10H10FN3O.C10H10FN3.C10H8N4.C10H11N3O.3C10H11N3.C9H8ClN3.2C9H8FN3.C9H9N3/c1-8-9(2)12(17-4)11(16-3)7-10(8)15-13-5-6-14-15;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;1-8-6-9(7-11)2-3-10(8)14-12-4-5-13-14;1-8-7-9(14-2)3-4-10(8)13-11-5-6-12-13;1-8-3-4-10(9(2)7-8)13-11-5-6-12-13;1-8-3-4-9(2)10(7-8)13-11-5-6-12-13;1-8-4-3-5-10(9(8)2)13-11-6-7-12-13;2*1-7-6-8(10)2-3-9(7)13-11-4-5-12-13;1-7-8(10)3-2-4-9(7)13-11-5-6-12-13;1-8-4-2-3-5-9(8)12-10-6-7-11-12/h5-7H,1-4H3;3-6H,1-2H3;3-6H,1-2H3;2-6H,1H3;3-7H,1-2H3;3*3-7H,1-2H3;3*2-6H,1H3;2-7H,1H3.

What are the key properties of 2-(4-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;3-methyl-4-(triazol-2-yl)benzonitrile?

2-(4-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;3-methyl-4-(triazol-2-yl)benzonitrile has a molecular weight of 2231.96 g/mol, XLogP of 21.57, 16 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole;2-(2,3-dimethylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(3-fluoro-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;3-methyl-4-(triazol-2-yl)benzonitrile is sourced from PubChem (CID 162024128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).