(1-benzyltriazol-4-yl)-trimethylsilane

C12H17N3Si — CID 11470286

IUPAC(1-benzyltriazol-4-yl)-trimethylsilane
SMILESC[Si](C)(C)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C12H17N3Si/c1-16(2,3)12-10-15(14-13-12)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyRYXUUEUEUGGSGI-UHFFFAOYSA-N
MW231.38 g/mol
LogP1.87
Rot. Bonds3

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

(1-benzyltriazol-4-yl)-trimethylsilane (PubChem CID 11470286) has the molecular formula C12H17N3Si and a molecular weight of 231.38 g/mol. Its IUPAC name is (1-benzyltriazol-4-yl)-trimethylsilane.

Molecular Properties

Compound Name(1-benzyltriazol-4-yl)-trimethylsilane
PubChem CID11470286
Molecular FormulaC12H17N3Si
Molecular Weight231.38 g/mol
Exact Mass231.12
IUPAC Name(1-benzyltriazol-4-yl)-trimethylsilane
SMILESC[Si](C)(C)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C12H17N3Si/c1-16(2,3)12-10-15(14-13-12)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyRYXUUEUEUGGSGI-UHFFFAOYSA-N
XLogP1.87
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1H-1,2,3-Triazol-1-yl)methyl]benzonitrile
CID 14196997
1-Benzhydryltriazole
CID 23220724
1-Benzyl-4-hexyl-triazole
CID 54772019
1-[(Z)-2,3-diphenylprop-2-enyl]triazole
CID 155512683
1-[(E)-2,3-diphenylprop-2-enyl]triazole
CID 155524316
1-Benzyl-4-decyl-1H-1,2,3-triazole
CID 46204132
1-Benzyl-1,2,3-triazole
CID 138203
1-Benzyl-4-octyl-triazole
CID 10423341
1-Benzyl-4-butyl-1H-1,2,3-triazole
CID 24887144
1-Benzyl-4-heptyltriazole
CID 54772020
1-Benzyl-4-bromo-1h-1,2,3-triazole
CID 13973357
1-Benzyl-4-bromo-3-oxidotriazol-3-ium
CID 13973362

Frequently Asked Questions

What is the IUPAC name of (1-benzyltriazol-4-yl)-trimethylsilane?
The IUPAC name of (1-benzyltriazol-4-yl)-trimethylsilane (CID 11470286) is (1-benzyltriazol-4-yl)-trimethylsilane.
What is the SMILES notation for (1-benzyltriazol-4-yl)-trimethylsilane?
The canonical SMILES for (1-benzyltriazol-4-yl)-trimethylsilane is C[Si](C)(C)c1cn(Cc2ccccc2)nn1.
What is the InChIKey of (1-benzyltriazol-4-yl)-trimethylsilane?
The InChIKey is RYXUUEUEUGGSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3Si/c1-16(2,3)12-10-15(14-13-12)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of (1-benzyltriazol-4-yl)-trimethylsilane?
(1-benzyltriazol-4-yl)-trimethylsilane has a molecular weight of 231.38 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyltriazol-4-yl)-trimethylsilane is sourced from PubChem (CID 11470286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).