2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane

C24H32F3N5O2Si — CID 123343673

IUPAC2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCC(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)n(COCC[Si](C)(C)C)n3)cn2)cn1
InChIInChI=1S/C24H32F3N5O2Si/c1-23(2,3)15-34-20-10-8-17(13-29-20)19-9-7-18(14-28-19)21-30-22(24(25,26)27)32(31-21)16-33-11-12-35(4,5)6/h7-10,13-14H,11-12,15-16H2,1-6H3
InChIKeyOKIQMUKBNQICII-UHFFFAOYSA-N
MW507.63 g/mol
LogP6.16
Rot. Bonds9

About 2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 123343673) has the molecular formula C24H32F3N5O2Si and a molecular weight of 507.63 g/mol. Its IUPAC name is 2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID123343673
Molecular FormulaC24H32F3N5O2Si
Molecular Weight507.63 g/mol
Exact Mass507.23
IUPAC Name2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCC(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)n(COCC[Si](C)(C)C)n3)cn2)cn1
InChIInChI=1S/C24H32F3N5O2Si/c1-23(2,3)15-34-20-10-8-17(13-29-20)19-9-7-18(14-28-19)21-30-22(24(25,26)27)32(31-21)16-33-11-12-35(4,5)6/h7-10,13-14H,11-12,15-16H2,1-6H3
InChIKeyOKIQMUKBNQICII-UHFFFAOYSA-N
XLogP6.16
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.63
LogP ≤ 56.16
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 2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane (CID 123343673) is 2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane is CC(C)(C)COc1ccc(-c2ccc(-c3nc(C(F)(F)F)n(COCC[Si](C)(C)C)n3)cn2)cn1.
What is the InChIKey of 2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is OKIQMUKBNQICII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N5O2Si/c1-23(2,3)15-34-20-10-8-17(13-29-20)19-9-7-18(14-28-19)21-30-22(24(25,26)27)32(31-21)16-33-11-12-35(4,5)6/h7-10,13-14H,11-12,15-16H2,1-6H3.
What are the key properties of 2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 507.63 g/mol, XLogP of 6.16, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 123343673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).