2-[[4-[(4-bromo-3-methylpyrazol-1-yl)methyl]triazol-1-yl]methoxy]ethyl-trimethylsilane

C13H22BrN5OSi — CID 166474525

IUPAC2-[[4-[(4-bromo-3-methylpyrazol-1-yl)methyl]triazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1nn(Cc2cn(COCC[Si](C)(C)C)nn2)cc1Br
InChIInChI=1S/C13H22BrN5OSi/c1-11-13(14)9-18(16-11)7-12-8-19(17-15-12)10-20-5-6-21(2,3)4/h8-9H,5-7,10H2,1-4H3
InChIKeyFYJMGGIVKWMZQV-UHFFFAOYSA-N
MW372.34 g/mol
LogP2.91
Rot. Bonds7

About 2-[[4-[(4-bromo-3-methylpyrazol-1-yl)methyl]triazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-[(4-bromo-3-methylpyrazol-1-yl)methyl]triazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 166474525) has the molecular formula C13H22BrN5OSi and a molecular weight of 372.34 g/mol. Its IUPAC name is 2-[[4-[(4-bromo-3-methylpyrazol-1-yl)methyl]triazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-[(4-bromo-3-methylpyrazol-1-yl)methyl]triazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID166474525
Molecular FormulaC13H22BrN5OSi
Molecular Weight372.34 g/mol
Exact Mass371.08
IUPAC Name2-[[4-[(4-bromo-3-methylpyrazol-1-yl)methyl]triazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1nn(Cc2cn(COCC[Si](C)(C)C)nn2)cc1Br
InChIInChI=1S/C13H22BrN5OSi/c1-11-13(14)9-18(16-11)7-12-8-19(17-15-12)10-20-5-6-21(2,3)4/h8-9H,5-7,10H2,1-4H3
InChIKeyFYJMGGIVKWMZQV-UHFFFAOYSA-N
XLogP2.91
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[[4-[(4-bromo-3-methylpyrazol-1-yl)methyl]triazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-[(4-bromo-3-methylpyrazol-1-yl)methyl]triazol-1-yl]methoxy]ethyl-trimethylsilane (CID 166474525) is 2-[[4-[(4-bromo-3-methylpyrazol-1-yl)methyl]triazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-[(4-bromo-3-methylpyrazol-1-yl)methyl]triazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-[(4-bromo-3-methylpyrazol-1-yl)methyl]triazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1nn(Cc2cn(COCC[Si](C)(C)C)nn2)cc1Br.
What is the InChIKey of 2-[[4-[(4-bromo-3-methylpyrazol-1-yl)methyl]triazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is FYJMGGIVKWMZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN5OSi/c1-11-13(14)9-18(16-11)7-12-8-19(17-15-12)10-20-5-6-21(2,3)4/h8-9H,5-7,10H2,1-4H3.
What are the key properties of 2-[[4-[(4-bromo-3-methylpyrazol-1-yl)methyl]triazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-[(4-bromo-3-methylpyrazol-1-yl)methyl]triazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 372.34 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-bromo-3-methylpyrazol-1-yl)methyl]triazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 166474525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).