2-[[3-ethoxy-5-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-ethoxy-3-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one;5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one

C98H124N16O12Si4 — CID 159905537

About 2-[[3-ethoxy-5-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-ethoxy-3-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one;5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one

2-[[3-ethoxy-5-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-ethoxy-3-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one;5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one (PubChem CID 159905537) has the molecular formula C98H124N16O12Si4 and a molecular weight of 1830.51 g/mol. Its IUPAC name is 2-[[3-ethoxy-5-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-ethoxy-3-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one;5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 2-[[3-ethoxy-5-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-ethoxy-3-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one;5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one
• PubChem CID: 159905537
• Molecular Formula: C98H124N16O12Si4
• Molecular Weight: 1830.51 g/mol
• Exact Mass: 1828.87
• IUPAC Name: 2-[[3-ethoxy-5-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-ethoxy-3-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one;5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one
• SMILES: CCOc1nc(-c2ccc(-c3ccc(=O)[nH]c3)cc2)n(COCC[Si](C)(C)C)n1.CCOc1nc(-c2ccc(-c3ccc(=O)[nH]c3)cc2)nn1COCC[Si](C)(C)C.CCOc1nc(-c2ccc(-c3ccc(OCc4ccccc4)nc3)cc2)n(COCC[Si](C)(C)C)n1.CCOc1nc(-c2ccc(-c3ccc(OCc4ccccc4)nc3)cc2)nn1COCC[Si](C)(C)C
• InChI: InChI=1S/2C28H34N4O3Si.2C21H28N4O3Si/c1-5-34-28-30-27(32(31-28)21-33-17-18-36(2,3)4)24-13-11-23(12-14-24)25-15-16-26(29-19-25)35-20-22-9-7-6-8-10-22;1-5-34-28-30-27(31-32(28)21-33-17-18-36(2,3)4)24-13-11-23(12-14-24)25-15-16-26(29-19-25)35-20-22-9-7-6-8-10-22;1-5-28-21-23-20(25(24-21)15-27-12-13-29(2,3)4)17-8-6-16(7-9-17)18-10-11-19(26)22-14-18;1-5-28-21-23-20(24-25(21)15-27-12-13-29(2,3)4)17-8-6-16(7-9-17)18-10-11-19(26)22-14-18/h2*6-16,19H,5,17-18,20-21H2,1-4H3;2*6-11,14H,5,12-13,15H2,1-4H3,(H,22,26)
• InChIKey: NWNGDTWEFKYCEI-UHFFFAOYSA-N
• XLogP: 20.62
• TPSA: 306.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 42
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1830.51
LogP ≤ 5	20.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[3-ethoxy-5-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-ethoxy-3-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one;5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one?

The IUPAC name of 2-[[3-ethoxy-5-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-ethoxy-3-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one;5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one (CID 159905537) is 2-[[3-ethoxy-5-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-ethoxy-3-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one;5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one.

What is the SMILES notation for 2-[[3-ethoxy-5-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-ethoxy-3-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one;5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one?

The canonical SMILES for 2-[[3-ethoxy-5-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-ethoxy-3-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one;5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one is CCOc1nc(-c2ccc(-c3ccc(=O)[nH]c3)cc2)n(COCC[Si](C)(C)C)n1.CCOc1nc(-c2ccc(-c3ccc(=O)[nH]c3)cc2)nn1COCC[Si](C)(C)C.CCOc1nc(-c2ccc(-c3ccc(OCc4ccccc4)nc3)cc2)n(COCC[Si](C)(C)C)n1.CCOc1nc(-c2ccc(-c3ccc(OCc4ccccc4)nc3)cc2)nn1COCC[Si](C)(C)C.

What is the InChIKey of 2-[[3-ethoxy-5-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-ethoxy-3-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one;5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one?

The InChIKey is NWNGDTWEFKYCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H34N4O3Si.2C21H28N4O3Si/c1-5-34-28-30-27(32(31-28)21-33-17-18-36(2,3)4)24-13-11-23(12-14-24)25-15-16-26(29-19-25)35-20-22-9-7-6-8-10-22;1-5-34-28-30-27(31-32(28)21-33-17-18-36(2,3)4)24-13-11-23(12-14-24)25-15-16-26(29-19-25)35-20-22-9-7-6-8-10-22;1-5-28-21-23-20(25(24-21)15-27-12-13-29(2,3)4)17-8-6-16(7-9-17)18-10-11-19(26)22-14-18;1-5-28-21-23-20(24-25(21)15-27-12-13-29(2,3)4)17-8-6-16(7-9-17)18-10-11-19(26)22-14-18/h2*6-16,19H,5,17-18,20-21H2,1-4H3;2*6-11,14H,5,12-13,15H2,1-4H3,(H,22,26).

What are the key properties of 2-[[3-ethoxy-5-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-ethoxy-3-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one;5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one?

2-[[3-ethoxy-5-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-ethoxy-3-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one;5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one has a molecular weight of 1830.51 g/mol, XLogP of 20.62, 42 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-ethoxy-5-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-ethoxy-3-[4-(6-phenylmethoxy-3-pyridinyl)phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;5-[4-[5-ethoxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one;5-[4-[5-ethoxy-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 159905537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).