methyl 2-[4-[5-[4-(3-ethoxy-1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate

C84H106N12O11Si2 — CID 160740785

About methyl 2-[4-[5-[4-(3-ethoxy-1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate

methyl 2-[4-[5-[4-(3-ethoxy-1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate (PubChem CID 160740785) has the molecular formula C84H106N12O11Si2 and a molecular weight of 1516.02 g/mol. Its IUPAC name is methyl 2-[4-[5-[4-(3-ethoxy-1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate.

Molecular Properties

• Compound Name: methyl 2-[4-[5-[4-(3-ethoxy-1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate
• PubChem CID: 160740785
• Molecular Formula: C84H106N12O11Si2
• Molecular Weight: 1516.02 g/mol
• Exact Mass: 1514.76
• IUPAC Name: methyl 2-[4-[5-[4-(3-ethoxy-1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate
• SMILES: CCOc1n[nH]c(-c2ccc(-c3ccc(C4=CCC(CC(=O)OC)CC4)nc3)cc2)n1.CCOc1nc(-c2ccc(-c3ccc(C4=CCC(CC(=O)OC)CC4)nc3)cc2)n(COCC[Si](C)(C)C)n1.CCOc1nc(-c2ccc(-c3ccc(C4=CCC(CC(=O)OC)CC4)nc3)cc2)nn1COCC[Si](C)(C)C
• InChI: InChI=1S/2C30H40N4O4Si.C24H26N4O3/c1-6-38-30-32-29(34(33-30)21-37-17-18-39(3,4)5)25-13-11-23(12-14-25)26-15-16-27(31-20-26)24-9-7-22(8-10-24)19-28(35)36-2;1-6-38-30-32-29(33-34(30)21-37-17-18-39(3,4)5)25-13-11-23(12-14-25)26-15-16-27(31-20-26)24-9-7-22(8-10-24)19-28(35)36-2;1-3-31-24-26-23(27-28-24)19-10-8-17(9-11-19)20-12-13-21(25-15-20)18-6-4-16(5-7-18)14-22(29)30-2/h2*9,11-16,20,22H,6-8,10,17-19,21H2,1-5H3;6,8-13,15-16H,3-5,7,14H2,1-2H3,(H,26,27,28)
• InChIKey: RVNYVSQSHNNTOL-UHFFFAOYSA-N
• XLogP: 17.61
• TPSA: 266.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 31
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1516.02
LogP ≤ 5	17.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[5-[4-(3-ethoxy-1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate?

The IUPAC name of methyl 2-[4-[5-[4-(3-ethoxy-1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate (CID 160740785) is methyl 2-[4-[5-[4-(3-ethoxy-1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate.

What is the SMILES notation for methyl 2-[4-[5-[4-(3-ethoxy-1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate?

The canonical SMILES for methyl 2-[4-[5-[4-(3-ethoxy-1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate is CCOc1n[nH]c(-c2ccc(-c3ccc(C4=CCC(CC(=O)OC)CC4)nc3)cc2)n1.CCOc1nc(-c2ccc(-c3ccc(C4=CCC(CC(=O)OC)CC4)nc3)cc2)n(COCC[Si](C)(C)C)n1.CCOc1nc(-c2ccc(-c3ccc(C4=CCC(CC(=O)OC)CC4)nc3)cc2)nn1COCC[Si](C)(C)C.

What is the InChIKey of methyl 2-[4-[5-[4-(3-ethoxy-1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate?

The InChIKey is RVNYVSQSHNNTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H40N4O4Si.C24H26N4O3/c1-6-38-30-32-29(34(33-30)21-37-17-18-39(3,4)5)25-13-11-23(12-14-25)26-15-16-27(31-20-26)24-9-7-22(8-10-24)19-28(35)36-2;1-6-38-30-32-29(33-34(30)21-37-17-18-39(3,4)5)25-13-11-23(12-14-25)26-15-16-27(31-20-26)24-9-7-22(8-10-24)19-28(35)36-2;1-3-31-24-26-23(27-28-24)19-10-8-17(9-11-19)20-12-13-21(25-15-20)18-6-4-16(5-7-18)14-22(29)30-2/h2*9,11-16,20,22H,6-8,10,17-19,21H2,1-5H3;6,8-13,15-16H,3-5,7,14H2,1-2H3,(H,26,27,28).

What are the key properties of methyl 2-[4-[5-[4-(3-ethoxy-1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate?

methyl 2-[4-[5-[4-(3-ethoxy-1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate has a molecular weight of 1516.02 g/mol, XLogP of 17.61, 31 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[4-[5-[4-(3-ethoxy-1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]cyclohex-3-en-1-yl]acetate is sourced from PubChem (CID 160740785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).