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

C8H15Br2N3OSi — CID 90149322

IUPAC2-[(3,5-dibromo-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(Br)nc1Br
InChIInChI=1S/C8H15Br2N3OSi/c1-15(2,3)5-4-14-6-13-8(10)11-7(9)12-13/h4-6H2,1-3H3
InChIKeyRMQHUTDZCYCWIW-UHFFFAOYSA-N
MW357.12 g/mol
LogP3.12
Rot. Bonds5

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

2-[(3,5-dibromo-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 90149322) has the molecular formula C8H15Br2N3OSi and a molecular weight of 357.12 g/mol. Its IUPAC name is 2-[(3,5-dibromo-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(3,5-dibromo-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID90149322
Molecular FormulaC8H15Br2N3OSi
Molecular Weight357.12 g/mol
Exact Mass354.94
IUPAC Name2-[(3,5-dibromo-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(Br)nc1Br
InChIInChI=1S/C8H15Br2N3OSi/c1-15(2,3)5-4-14-6-13-8(10)11-7(9)12-13/h4-6H2,1-3H3
InChIKeyRMQHUTDZCYCWIW-UHFFFAOYSA-N
XLogP3.12
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.12
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(3,5-dibromo-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(3,5-dibromo-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane (CID 90149322) is 2-[(3,5-dibromo-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(3,5-dibromo-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(3,5-dibromo-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(Br)nc1Br.
What is the InChIKey of 2-[(3,5-dibromo-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is RMQHUTDZCYCWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br2N3OSi/c1-15(2,3)5-4-14-6-13-8(10)11-7(9)12-13/h4-6H2,1-3H3.
What are the key properties of 2-[(3,5-dibromo-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(3,5-dibromo-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 357.12 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dibromo-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 90149322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).