2-(1-benzyltriazol-4-yl)ethynyl-trimethylsilane

C14H17N3Si — CID 102161279

IUPAC2-(1-benzyltriazol-4-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C14H17N3Si/c1-18(2,3)10-9-14-12-17(16-15-14)11-13-7-5-4-6-8-13/h4-8,12H,11H2,1-3H3
InChIKeyCSDJOMMRUZOJMF-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.56
Rot. Bonds2

About 2-(1-benzyltriazol-4-yl)ethynyl-trimethylsilane

2-(1-benzyltriazol-4-yl)ethynyl-trimethylsilane (PubChem CID 102161279) has the molecular formula C14H17N3Si and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-(1-benzyltriazol-4-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(1-benzyltriazol-4-yl)ethynyl-trimethylsilane
PubChem CID102161279
Molecular FormulaC14H17N3Si
Molecular Weight255.40 g/mol
Exact Mass255.12
IUPAC Name2-(1-benzyltriazol-4-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C14H17N3Si/c1-18(2,3)10-9-14-12-17(16-15-14)11-13-7-5-4-6-8-13/h4-8,12H,11H2,1-3H3
InChIKeyCSDJOMMRUZOJMF-UHFFFAOYSA-N
XLogP2.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4-(2-phenylethynyl)triazole
CID 71424297
(3S)-7-(1-benzyltriazol-4-yl)-2-methylhepta-4,6-diyn-3-ol
CID 53474487
1-benzyl-4-fluorotriazole
CID 102109152
1,4-dibenzyltriazole
CID 56663361
1-benzyl-4-(2-phenylethyl)triazole
CID 56666792
(1S)-1-(1-benzyltriazol-4-yl)ethanol
CID 75176225
(1-benzyltriazol-4-yl)-phenyldiazene
CID 162418211
N,N-bis[(1-benzyltriazol-4-yl)methyl]propan-1-amine
CID 118387790
1-benzyltriazole-4-carbonyl chloride
CID 87720228
1-(1-benzyltriazol-4-yl)-N,N-bis[1-(1-benzyltriazol-4-yl)ethyl]ethanamine
CID 175127031
1-benzyl-4-pentyltriazole
CID 71590860
1-benzyl-4-phenylselanyltriazole
CID 102453172

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltriazol-4-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(1-benzyltriazol-4-yl)ethynyl-trimethylsilane (CID 102161279) is 2-(1-benzyltriazol-4-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(1-benzyltriazol-4-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(1-benzyltriazol-4-yl)ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1cn(Cc2ccccc2)nn1.
What is the InChIKey of 2-(1-benzyltriazol-4-yl)ethynyl-trimethylsilane?
The InChIKey is CSDJOMMRUZOJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3Si/c1-18(2,3)10-9-14-12-17(16-15-14)11-13-7-5-4-6-8-13/h4-8,12H,11H2,1-3H3.
What are the key properties of 2-(1-benzyltriazol-4-yl)ethynyl-trimethylsilane?
2-(1-benzyltriazol-4-yl)ethynyl-trimethylsilane has a molecular weight of 255.40 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltriazol-4-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 102161279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).