2-(4-chloro-2-methylphenyl)triazole;2,4-dimethylaniline;1-(2,4-dimethylphenyl)pyrazole;2-(2,3-dimethylphenyl)pyrimidine;2-(2,4-dimethylphenyl)pyrimidine;2-(2,5-dimethylphenyl)triazole;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;bis(ethane-1,2-diimine);2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;4-methoxy-2-methylaniline;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole

C154H167ClF4N42O2 — CID 160827094

About 2-(4-chloro-2-methylphenyl)triazole;2,4-dimethylaniline;1-(2,4-dimethylphenyl)pyrazole;2-(2,3-dimethylphenyl)pyrimidine;2-(2,4-dimethylphenyl)pyrimidine;2-(2,5-dimethylphenyl)triazole;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;bis(ethane-1,2-diimine);2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;4-methoxy-2-methylaniline;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole

2-(4-chloro-2-methylphenyl)triazole;2,4-dimethylaniline;1-(2,4-dimethylphenyl)pyrazole;2-(2,3-dimethylphenyl)pyrimidine;2-(2,4-dimethylphenyl)pyrimidine;2-(2,5-dimethylphenyl)triazole;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;bis(ethane-1,2-diimine);2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;4-methoxy-2-methylaniline;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole (PubChem CID 160827094) has the molecular formula C154H167ClF4N42O2 and a molecular weight of 2749.77 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenyl)triazole;2,4-dimethylaniline;1-(2,4-dimethylphenyl)pyrazole;2-(2,3-dimethylphenyl)pyrimidine;2-(2,4-dimethylphenyl)pyrimidine;2-(2,5-dimethylphenyl)triazole;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;bis(ethane-1,2-diimine);2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;4-methoxy-2-methylaniline;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole.

Molecular Properties

• Compound Name: 2-(4-chloro-2-methylphenyl)triazole;2,4-dimethylaniline;1-(2,4-dimethylphenyl)pyrazole;2-(2,3-dimethylphenyl)pyrimidine;2-(2,4-dimethylphenyl)pyrimidine;2-(2,5-dimethylphenyl)triazole;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;bis(ethane-1,2-diimine);2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;4-methoxy-2-methylaniline;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole
• PubChem CID: 160827094
• Molecular Formula: C154H167ClF4N42O2
• Molecular Weight: 2749.77 g/mol
• Exact Mass: 2747.39
• IUPAC Name: 2-(4-chloro-2-methylphenyl)triazole;2,4-dimethylaniline;1-(2,4-dimethylphenyl)pyrazole;2-(2,3-dimethylphenyl)pyrimidine;2-(2,4-dimethylphenyl)pyrimidine;2-(2,5-dimethylphenyl)triazole;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;bis(ethane-1,2-diimine);2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;4-methoxy-2-methylaniline;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole
• SMILES: COc1ccc(-n2nccn2)c(C)c1F.COc1ccc(N)c(C)c1.Cc1cc(C)c(-n2nccn2)cc1C.Cc1cc(Cl)ccc1-n1nccn1.Cc1cc(F)ccc1-n1nccn1.Cc1ccc(-c2ncccn2)c(C)c1.Cc1ccc(-c2ncccn2)c(C)c1F.Cc1ccc(-n2cccn2)c(C)c1.Cc1ccc(-n2cccn2)c(C)n1.Cc1ccc(-n2nccn2)c(C)c1F.Cc1ccc(-n2nccn2)c(C)n1.Cc1ccc(C)c(-n2nccn2)c1.Cc1ccc(N)c(C)c1.Cc1cccc(-c2ncccn2)c1C.Cc1ccccc1-n1nccn1.[H]/N=C/C=N/[H].[H]/N=C/C=N/[H]
• InChI: InChI=1S/C12H11FN2.2C12H12N2.C11H13N3.C11H12N2.C10H10FN3O.C10H10FN3.2C10H11N3.C9H8ClN3.C9H8FN3.C9H10N4.C9H9N3.C8H11NO.C8H11N.2C2H4N2/c1-8-4-5-10(9(2)11(8)13)12-14-6-3-7-15-12;1-9-4-5-11(10(2)8-9)12-13-6-3-7-14-12;1-9-5-3-6-11(10(9)2)12-13-7-4-8-14-12;1-8-6-10(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;1-8-4-5-10(9(2)12-8)13-7-3-6-11-13;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;1-7-3-4-9(8(2)12-7)13-10-5-6-11-13;1-8-4-2-3-5-9(8)12-10-6-7-11-12;1-6-5-7(10-2)3-4-8(6)9;1-6-3-4-8(9)7(2)5-6;2*3-1-2-4/h3-7H,1-2H3;2*3-8H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;2*2-6H,1H3;3-6H,1-2H3;2-7H,1H3;3-5H,9H2,1-2H3;3-5H,9H2,1-2H3;2*1-4H/b;;;;;;;;;;;;;;;2*3-1+,4-2+
• InChIKey: SGHZRGFCYZPUGD-WAOHTXJDSA-N
• XLogP: 31.46
• TPSA: 550.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 44
• Rotatable Bonds: 17
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2749.77
LogP ≤ 5	31.46
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenyl)triazole;2,4-dimethylaniline;1-(2,4-dimethylphenyl)pyrazole;2-(2,3-dimethylphenyl)pyrimidine;2-(2,4-dimethylphenyl)pyrimidine;2-(2,5-dimethylphenyl)triazole;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;bis(ethane-1,2-diimine);2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;4-methoxy-2-methylaniline;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole?

The IUPAC name of 2-(4-chloro-2-methylphenyl)triazole;2,4-dimethylaniline;1-(2,4-dimethylphenyl)pyrazole;2-(2,3-dimethylphenyl)pyrimidine;2-(2,4-dimethylphenyl)pyrimidine;2-(2,5-dimethylphenyl)triazole;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;bis(ethane-1,2-diimine);2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;4-methoxy-2-methylaniline;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole (CID 160827094) is 2-(4-chloro-2-methylphenyl)triazole;2,4-dimethylaniline;1-(2,4-dimethylphenyl)pyrazole;2-(2,3-dimethylphenyl)pyrimidine;2-(2,4-dimethylphenyl)pyrimidine;2-(2,5-dimethylphenyl)triazole;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;bis(ethane-1,2-diimine);2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;4-methoxy-2-methylaniline;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole.

What is the SMILES notation for 2-(4-chloro-2-methylphenyl)triazole;2,4-dimethylaniline;1-(2,4-dimethylphenyl)pyrazole;2-(2,3-dimethylphenyl)pyrimidine;2-(2,4-dimethylphenyl)pyrimidine;2-(2,5-dimethylphenyl)triazole;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;bis(ethane-1,2-diimine);2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;4-methoxy-2-methylaniline;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole?

The canonical SMILES for 2-(4-chloro-2-methylphenyl)triazole;2,4-dimethylaniline;1-(2,4-dimethylphenyl)pyrazole;2-(2,3-dimethylphenyl)pyrimidine;2-(2,4-dimethylphenyl)pyrimidine;2-(2,5-dimethylphenyl)triazole;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;bis(ethane-1,2-diimine);2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;4-methoxy-2-methylaniline;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole is COc1ccc(-n2nccn2)c(C)c1F.COc1ccc(N)c(C)c1.Cc1cc(C)c(-n2nccn2)cc1C.Cc1cc(Cl)ccc1-n1nccn1.Cc1cc(F)ccc1-n1nccn1.Cc1ccc(-c2ncccn2)c(C)c1.Cc1ccc(-c2ncccn2)c(C)c1F.Cc1ccc(-n2cccn2)c(C)c1.Cc1ccc(-n2cccn2)c(C)n1.Cc1ccc(-n2nccn2)c(C)c1F.Cc1ccc(-n2nccn2)c(C)n1.Cc1ccc(C)c(-n2nccn2)c1.Cc1ccc(N)c(C)c1.Cc1cccc(-c2ncccn2)c1C.Cc1ccccc1-n1nccn1.[H]/N=C/C=N/[H].[H]/N=C/C=N/[H].

What is the InChIKey of 2-(4-chloro-2-methylphenyl)triazole;2,4-dimethylaniline;1-(2,4-dimethylphenyl)pyrazole;2-(2,3-dimethylphenyl)pyrimidine;2-(2,4-dimethylphenyl)pyrimidine;2-(2,5-dimethylphenyl)triazole;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;bis(ethane-1,2-diimine);2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;4-methoxy-2-methylaniline;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole?

The InChIKey is SGHZRGFCYZPUGD-WAOHTXJDSA-N. The full InChI is InChI=1S/C12H11FN2.2C12H12N2.C11H13N3.C11H12N2.C10H10FN3O.C10H10FN3.2C10H11N3.C9H8ClN3.C9H8FN3.C9H10N4.C9H9N3.C8H11NO.C8H11N.2C2H4N2/c1-8-4-5-10(9(2)11(8)13)12-14-6-3-7-15-12;1-9-4-5-11(10(2)8-9)12-13-6-3-7-14-12;1-9-5-3-6-11(10(9)2)12-13-7-4-8-14-12;1-8-6-10(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;1-8-4-5-10(9(2)12-8)13-7-3-6-11-13;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;1-7-3-4-9(8(2)12-7)13-10-5-6-11-13;1-8-4-2-3-5-9(8)12-10-6-7-11-12;1-6-5-7(10-2)3-4-8(6)9;1-6-3-4-8(9)7(2)5-6;2*3-1-2-4/h3-7H,1-2H3;2*3-8H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;2*2-6H,1H3;3-6H,1-2H3;2-7H,1H3;3-5H,9H2,1-2H3;3-5H,9H2,1-2H3;2*1-4H/b;;;;;;;;;;;;;;;2*3-1+,4-2+.

What are the key properties of 2-(4-chloro-2-methylphenyl)triazole;2,4-dimethylaniline;1-(2,4-dimethylphenyl)pyrazole;2-(2,3-dimethylphenyl)pyrimidine;2-(2,4-dimethylphenyl)pyrimidine;2-(2,5-dimethylphenyl)triazole;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;bis(ethane-1,2-diimine);2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;4-methoxy-2-methylaniline;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole?

2-(4-chloro-2-methylphenyl)triazole;2,4-dimethylaniline;1-(2,4-dimethylphenyl)pyrazole;2-(2,3-dimethylphenyl)pyrimidine;2-(2,4-dimethylphenyl)pyrimidine;2-(2,5-dimethylphenyl)triazole;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;bis(ethane-1,2-diimine);2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;4-methoxy-2-methylaniline;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole has a molecular weight of 2749.77 g/mol, XLogP of 31.46, 17 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-2-methylphenyl)triazole;2,4-dimethylaniline;1-(2,4-dimethylphenyl)pyrazole;2-(2,3-dimethylphenyl)pyrimidine;2-(2,4-dimethylphenyl)pyrimidine;2-(2,5-dimethylphenyl)triazole;2,6-dimethyl-3-pyrazol-1-ylpyridine;2,6-dimethyl-3-(triazol-2-yl)pyridine;bis(ethane-1,2-diimine);2-(3-fluoro-2,4-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;4-methoxy-2-methylaniline;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole is sourced from PubChem (CID 160827094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).