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

C14H18BrF3N4OSi — CID 123462425

IUPAC2-[[5-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(C(F)(F)F)nc1-c1ccc(Br)cn1
InChIInChI=1S/C14H18BrF3N4OSi/c1-24(2,3)7-6-23-9-22-12(11-5-4-10(15)8-19-11)20-13(21-22)14(16,17)18/h4-5,8H,6-7,9H2,1-3H3
InChIKeyWNTKVFUCZFVASH-UHFFFAOYSA-N
MW423.31 g/mol
LogP4.43
Rot. Bonds6

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

2-[[5-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 123462425) has the molecular formula C14H18BrF3N4OSi and a molecular weight of 423.31 g/mol. Its IUPAC name is 2-[[5-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID123462425
Molecular FormulaC14H18BrF3N4OSi
Molecular Weight423.31 g/mol
Exact Mass422.04
IUPAC Name2-[[5-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(C(F)(F)F)nc1-c1ccc(Br)cn1
InChIInChI=1S/C14H18BrF3N4OSi/c1-24(2,3)7-6-23-9-22-12(11-5-4-10(15)8-19-11)20-13(21-22)14(16,17)18/h4-5,8H,6-7,9H2,1-3H3
InChIKeyWNTKVFUCZFVASH-UHFFFAOYSA-N
XLogP4.43
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[[5-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane (CID 123462425) is 2-[[5-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(C(F)(F)F)nc1-c1ccc(Br)cn1.
What is the InChIKey of 2-[[5-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is WNTKVFUCZFVASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF3N4OSi/c1-24(2,3)7-6-23-9-22-12(11-5-4-10(15)8-19-11)20-13(21-22)14(16,17)18/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 2-[[5-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 423.31 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 123462425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).