2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(6-chloro-3-pyridinyl)-3-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2-[4-[4-[5-[5-methyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-[5-[5-methyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate

C106H151BCl2N16O12Si4 — CID 159255378

About 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(6-chloro-3-pyridinyl)-3-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2-[4-[4-[5-[5-methyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-[5-[5-methyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate

2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(6-chloro-3-pyridinyl)-3-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2-[4-[4-[5-[5-methyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-[5-[5-methyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate (PubChem CID 159255378) has the molecular formula C106H151BCl2N16O12Si4 and a molecular weight of 2035.54 g/mol. Its IUPAC name is 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(6-chloro-3-pyridinyl)-3-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2-[4-[4-[5-[5-methyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-[5-[5-methyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate.

Molecular Properties

• Compound Name: 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(6-chloro-3-pyridinyl)-3-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2-[4-[4-[5-[5-methyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-[5-[5-methyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate
• PubChem CID: 159255378
• Molecular Formula: C106H151BCl2N16O12Si4
• Molecular Weight: 2035.54 g/mol
• Exact Mass: 2033.02
• IUPAC Name: 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(6-chloro-3-pyridinyl)-3-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2-[4-[4-[5-[5-methyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-[5-[5-methyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate
• SMILES: COC(=O)CC1CCC(c2ccc(-c3ccc(-c4nc(C)n(COCC[Si](C)(C)C)n4)cn3)cc2)CC1.COC(=O)CC1CCC(c2ccc(-c3ccc(-c4nc(C)nn4COCC[Si](C)(C)C)cn3)cc2)CC1.COC(=O)CC1CCC(c2ccc(B3OC(C)C(C)(C)O3)cc2)CC1.Cc1nc(-c2ccc(Cl)nc2)n(COCC[Si](C)(C)C)n1.Cc1nc(-c2ccc(Cl)nc2)nn1COCC[Si](C)(C)C
• InChI: InChI=1S/2C29H40N4O3Si.C20H29BO4.2C14H21ClN4OSi/c1-21-31-29(32-33(21)20-36-16-17-37(3,4)5)26-14-15-27(30-19-26)25-12-10-24(11-13-25)23-8-6-22(7-9-23)18-28(34)35-2;1-21-31-29(33(32-21)20-36-16-17-37(3,4)5)26-14-15-27(30-19-26)25-12-10-24(11-13-25)23-8-6-22(7-9-23)18-28(34)35-2;1-14-20(2,3)25-21(24-14)18-11-9-17(10-12-18)16-7-5-15(6-8-16)13-19(22)23-4;1-11-17-14(12-5-6-13(15)16-9-12)18-19(11)10-20-7-8-21(2,3)4;1-11-17-14(12-5-6-13(15)16-9-12)19(18-11)10-20-7-8-21(2,3)4/h2*10-15,19,22-23H,6-9,16-18,20H2,1-5H3;9-12,14-16H,5-8,13H2,1-4H3;2*5-6,9H,7-8,10H2,1-4H3
• InChIKey: KVVDTSSWWAPBOR-UHFFFAOYSA-N
• XLogP: 23.59
• TPSA: 308.68 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 36
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2035.54
LogP ≤ 5	23.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', '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 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(6-chloro-3-pyridinyl)-3-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2-[4-[4-[5-[5-methyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-[5-[5-methyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate?

The IUPAC name of 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(6-chloro-3-pyridinyl)-3-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2-[4-[4-[5-[5-methyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-[5-[5-methyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate (CID 159255378) is 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(6-chloro-3-pyridinyl)-3-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2-[4-[4-[5-[5-methyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-[5-[5-methyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate.

What is the SMILES notation for 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(6-chloro-3-pyridinyl)-3-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2-[4-[4-[5-[5-methyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-[5-[5-methyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate?

The canonical SMILES for 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(6-chloro-3-pyridinyl)-3-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2-[4-[4-[5-[5-methyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-[5-[5-methyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate is COC(=O)CC1CCC(c2ccc(-c3ccc(-c4nc(C)n(COCC[Si](C)(C)C)n4)cn3)cc2)CC1.COC(=O)CC1CCC(c2ccc(-c3ccc(-c4nc(C)nn4COCC[Si](C)(C)C)cn3)cc2)CC1.COC(=O)CC1CCC(c2ccc(B3OC(C)C(C)(C)O3)cc2)CC1.Cc1nc(-c2ccc(Cl)nc2)n(COCC[Si](C)(C)C)n1.Cc1nc(-c2ccc(Cl)nc2)nn1COCC[Si](C)(C)C.

What is the InChIKey of 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(6-chloro-3-pyridinyl)-3-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2-[4-[4-[5-[5-methyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-[5-[5-methyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate?

The InChIKey is KVVDTSSWWAPBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H40N4O3Si.C20H29BO4.2C14H21ClN4OSi/c1-21-31-29(32-33(21)20-36-16-17-37(3,4)5)26-14-15-27(30-19-26)25-12-10-24(11-13-25)23-8-6-22(7-9-23)18-28(34)35-2;1-21-31-29(33(32-21)20-36-16-17-37(3,4)5)26-14-15-27(30-19-26)25-12-10-24(11-13-25)23-8-6-22(7-9-23)18-28(34)35-2;1-14-20(2,3)25-21(24-14)18-11-9-17(10-12-18)16-7-5-15(6-8-16)13-19(22)23-4;1-11-17-14(12-5-6-13(15)16-9-12)18-19(11)10-20-7-8-21(2,3)4;1-11-17-14(12-5-6-13(15)16-9-12)19(18-11)10-20-7-8-21(2,3)4/h2*10-15,19,22-23H,6-9,16-18,20H2,1-5H3;9-12,14-16H,5-8,13H2,1-4H3;2*5-6,9H,7-8,10H2,1-4H3.

What are the key properties of 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(6-chloro-3-pyridinyl)-3-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2-[4-[4-[5-[5-methyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-[5-[5-methyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate?

2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(6-chloro-3-pyridinyl)-3-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2-[4-[4-[5-[5-methyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-[5-[5-methyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate has a molecular weight of 2035.54 g/mol, XLogP of 23.59, 36 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-(6-chloro-3-pyridinyl)-3-methyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;methyl 2-[4-[4-[5-[5-methyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-[5-[5-methyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]phenyl]cyclohexyl]acetate;methyl 2-[4-[4-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate is sourced from PubChem (CID 159255378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).