[1-(2-bromo-3-fluorophenyl)-5-methyltriazol-4-yl]-trimethylsilane

C12H15BrFN3Si — CID 67440782

IUPAC[1-(2-bromo-3-fluorophenyl)-5-methyltriazol-4-yl]-trimethylsilane
SMILESCc1c([Si](C)(C)C)nnn1-c1cccc(F)c1Br
InChIInChI=1S/C12H15BrFN3Si/c1-8-12(18(2,3)4)15-16-17(8)10-7-5-6-9(14)11(10)13/h5-7H,1-4H3
InChIKeyYPEUEUXYFJTEEC-UHFFFAOYSA-N
MW328.26 g/mol
LogP3.02
Rot. Bonds2

About [1-(2-bromo-3-fluorophenyl)-5-methyltriazol-4-yl]-trimethylsilane

[1-(2-bromo-3-fluorophenyl)-5-methyltriazol-4-yl]-trimethylsilane (PubChem CID 67440782) has the molecular formula C12H15BrFN3Si and a molecular weight of 328.26 g/mol. Its IUPAC name is [1-(2-bromo-3-fluorophenyl)-5-methyltriazol-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[1-(2-bromo-3-fluorophenyl)-5-methyltriazol-4-yl]-trimethylsilane
PubChem CID67440782
Molecular FormulaC12H15BrFN3Si
Molecular Weight328.26 g/mol
Exact Mass327.02
IUPAC Name[1-(2-bromo-3-fluorophenyl)-5-methyltriazol-4-yl]-trimethylsilane
SMILESCc1c([Si](C)(C)C)nnn1-c1cccc(F)c1Br
InChIInChI=1S/C12H15BrFN3Si/c1-8-12(18(2,3)4)15-16-17(8)10-7-5-6-9(14)11(10)13/h5-7H,1-4H3
InChIKeyYPEUEUXYFJTEEC-UHFFFAOYSA-N
XLogP3.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-(2-bromo-3-fluorophenyl)-5-methyltriazol-4-yl]-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-3-fluorophenyl)-5-methyltriazol-4-yl]-trimethylsilane?
The IUPAC name of [1-(2-bromo-3-fluorophenyl)-5-methyltriazol-4-yl]-trimethylsilane (CID 67440782) is [1-(2-bromo-3-fluorophenyl)-5-methyltriazol-4-yl]-trimethylsilane.
What is the SMILES notation for [1-(2-bromo-3-fluorophenyl)-5-methyltriazol-4-yl]-trimethylsilane?
The canonical SMILES for [1-(2-bromo-3-fluorophenyl)-5-methyltriazol-4-yl]-trimethylsilane is Cc1c([Si](C)(C)C)nnn1-c1cccc(F)c1Br.
What is the InChIKey of [1-(2-bromo-3-fluorophenyl)-5-methyltriazol-4-yl]-trimethylsilane?
The InChIKey is YPEUEUXYFJTEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN3Si/c1-8-12(18(2,3)4)15-16-17(8)10-7-5-6-9(14)11(10)13/h5-7H,1-4H3.
What are the key properties of [1-(2-bromo-3-fluorophenyl)-5-methyltriazol-4-yl]-trimethylsilane?
[1-(2-bromo-3-fluorophenyl)-5-methyltriazol-4-yl]-trimethylsilane has a molecular weight of 328.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-3-fluorophenyl)-5-methyltriazol-4-yl]-trimethylsilane is sourced from PubChem (CID 67440782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).