[1-[2-(2-iodophenyl)ethyl]triazol-4-yl]-trimethylsilane

C13H18IN3Si — CID 56955477

IUPAC[1-[2-(2-iodophenyl)ethyl]triazol-4-yl]-trimethylsilane
SMILESC[Si](C)(C)c1cn(CCc2ccccc2I)nn1
InChIInChI=1S/C13H18IN3Si/c1-18(2,3)13-10-17(16-15-13)9-8-11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3
InChIKeyAYTSNJBGIBMNQX-UHFFFAOYSA-N
MW371.30 g/mol
LogP2.67
Rot. Bonds4

About [1-[2-(2-iodophenyl)ethyl]triazol-4-yl]-trimethylsilane

[1-[2-(2-iodophenyl)ethyl]triazol-4-yl]-trimethylsilane (PubChem CID 56955477) has the molecular formula C13H18IN3Si and a molecular weight of 371.30 g/mol. Its IUPAC name is [1-[2-(2-iodophenyl)ethyl]triazol-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[1-[2-(2-iodophenyl)ethyl]triazol-4-yl]-trimethylsilane
PubChem CID56955477
Molecular FormulaC13H18IN3Si
Molecular Weight371.30 g/mol
Exact Mass371.03
IUPAC Name[1-[2-(2-iodophenyl)ethyl]triazol-4-yl]-trimethylsilane
SMILESC[Si](C)(C)c1cn(CCc2ccccc2I)nn1
InChIInChI=1S/C13H18IN3Si/c1-18(2,3)13-10-17(16-15-13)9-8-11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3
InChIKeyAYTSNJBGIBMNQX-UHFFFAOYSA-N
XLogP2.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-[2-(2-iodophenyl)ethyl]triazol-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-(2-iodophenyl)ethyl]triazol-4-yl]-trimethylsilane?
The IUPAC name of [1-[2-(2-iodophenyl)ethyl]triazol-4-yl]-trimethylsilane (CID 56955477) is [1-[2-(2-iodophenyl)ethyl]triazol-4-yl]-trimethylsilane.
What is the SMILES notation for [1-[2-(2-iodophenyl)ethyl]triazol-4-yl]-trimethylsilane?
The canonical SMILES for [1-[2-(2-iodophenyl)ethyl]triazol-4-yl]-trimethylsilane is C[Si](C)(C)c1cn(CCc2ccccc2I)nn1.
What is the InChIKey of [1-[2-(2-iodophenyl)ethyl]triazol-4-yl]-trimethylsilane?
The InChIKey is AYTSNJBGIBMNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN3Si/c1-18(2,3)13-10-17(16-15-13)9-8-11-6-4-5-7-12(11)14/h4-7,10H,8-9H2,1-3H3.
What are the key properties of [1-[2-(2-iodophenyl)ethyl]triazol-4-yl]-trimethylsilane?
[1-[2-(2-iodophenyl)ethyl]triazol-4-yl]-trimethylsilane has a molecular weight of 371.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-iodophenyl)ethyl]triazol-4-yl]-trimethylsilane is sourced from PubChem (CID 56955477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).