trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane

C23H30F3N5O2Si — CID 123575843

IUPACtrimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane
SMILESCC(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)n(COCC[Si](C)(C)C)n3)cn2)cn1
InChIInChI=1S/C23H30F3N5O2Si/c1-16(2)14-33-20-9-7-17(12-28-20)19-8-6-18(13-27-19)21-29-22(23(24,25)26)31(30-21)15-32-10-11-34(3,4)5/h6-9,12-13,16H,10-11,14-15H2,1-5H3
InChIKeyHYPGAIMWUIHIPR-UHFFFAOYSA-N
MW493.61 g/mol
LogP5.77
Rot. Bonds10

About trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane (PubChem CID 123575843) has the molecular formula C23H30F3N5O2Si and a molecular weight of 493.61 g/mol. Its IUPAC name is trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane
PubChem CID123575843
Molecular FormulaC23H30F3N5O2Si
Molecular Weight493.61 g/mol
Exact Mass493.21
IUPAC Nametrimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane
SMILESCC(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)n(COCC[Si](C)(C)C)n3)cn2)cn1
InChIInChI=1S/C23H30F3N5O2Si/c1-16(2)14-33-20-9-7-17(12-28-20)19-8-6-18(13-27-19)21-29-22(23(24,25)26)31(30-21)15-32-10-11-34(3,4)5/h6-9,12-13,16H,10-11,14-15H2,1-5H3
InChIKeyHYPGAIMWUIHIPR-UHFFFAOYSA-N
XLogP5.77
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane (CID 123575843) is trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane is CC(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)n(COCC[Si](C)(C)C)n3)cn2)cn1.
What is the InChIKey of trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane?
The InChIKey is HYPGAIMWUIHIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N5O2Si/c1-16(2)14-33-20-9-7-17(12-28-20)19-8-6-18(13-27-19)21-29-22(23(24,25)26)31(30-21)15-32-10-11-34(3,4)5/h6-9,12-13,16H,10-11,14-15H2,1-5H3.
What are the key properties of trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane has a molecular weight of 493.61 g/mol, XLogP of 5.77, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[3-[6-[6-(2-methylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 123575843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).