3-(2-azidophenyl)prop-1-ynyl-triethylsilane

C15H21N3Si — CID 45257722

IUPAC3-(2-azidophenyl)prop-1-ynyl-triethylsilane
SMILESCC[Si](C#CCc1ccccc1N=[N+]=[N-])(CC)CC
InChIInChI=1S/C15H21N3Si/c1-4-19(5-2,6-3)13-9-11-14-10-7-8-12-15(14)17-18-16/h7-8,10,12H,4-6,11H2,1-3H3
InChIKeyQENQVGKHXVIDNP-UHFFFAOYSA-N
MW271.44 g/mol
LogP5.22
Rot. Bonds5

About 3-(2-azidophenyl)prop-1-ynyl-triethylsilane

3-(2-azidophenyl)prop-1-ynyl-triethylsilane (PubChem CID 45257722) has the molecular formula C15H21N3Si and a molecular weight of 271.44 g/mol. Its IUPAC name is 3-(2-azidophenyl)prop-1-ynyl-triethylsilane.

Molecular Properties

Compound Name3-(2-azidophenyl)prop-1-ynyl-triethylsilane
PubChem CID45257722
Molecular FormulaC15H21N3Si
Molecular Weight271.44 g/mol
Exact Mass271.15
IUPAC Name3-(2-azidophenyl)prop-1-ynyl-triethylsilane
SMILESCC[Si](C#CCc1ccccc1N=[N+]=[N-])(CC)CC
InChIInChI=1S/C15H21N3Si/c1-4-19(5-2,6-3)13-9-11-14-10-7-8-12-15(14)17-18-16/h7-8,10,12H,4-6,11H2,1-3H3
InChIKeyQENQVGKHXVIDNP-UHFFFAOYSA-N
XLogP5.22
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.44
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-azidophenyl)prop-1-ynyl-triethylsilane?
The IUPAC name of 3-(2-azidophenyl)prop-1-ynyl-triethylsilane (CID 45257722) is 3-(2-azidophenyl)prop-1-ynyl-triethylsilane.
What is the SMILES notation for 3-(2-azidophenyl)prop-1-ynyl-triethylsilane?
The canonical SMILES for 3-(2-azidophenyl)prop-1-ynyl-triethylsilane is CC[Si](C#CCc1ccccc1N=[N+]=[N-])(CC)CC.
What is the InChIKey of 3-(2-azidophenyl)prop-1-ynyl-triethylsilane?
The InChIKey is QENQVGKHXVIDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3Si/c1-4-19(5-2,6-3)13-9-11-14-10-7-8-12-15(14)17-18-16/h7-8,10,12H,4-6,11H2,1-3H3.
What are the key properties of 3-(2-azidophenyl)prop-1-ynyl-triethylsilane?
3-(2-azidophenyl)prop-1-ynyl-triethylsilane has a molecular weight of 271.44 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azidophenyl)prop-1-ynyl-triethylsilane is sourced from PubChem (CID 45257722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).