trimethyl-[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]silane

C18H21N3OSi — CID 56683670

IUPACtrimethyl-[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]silane
SMILESC[Si](C)(C)c1cn(Cc2cccc(Oc3ccccc3)c2)nn1
InChIInChI=1S/C18H21N3OSi/c1-23(2,3)18-14-21(20-19-18)13-15-8-7-11-17(12-15)22-16-9-5-4-6-10-16/h4-12,14H,13H2,1-3H3
InChIKeyFQERHXRLDKQKDY-UHFFFAOYSA-N
MW323.47 g/mol
LogP3.66
Rot. Bonds5

About trimethyl-[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]silane

trimethyl-[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]silane (PubChem CID 56683670) has the molecular formula C18H21N3OSi and a molecular weight of 323.47 g/mol. Its IUPAC name is trimethyl-[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]silane.

Molecular Properties

Compound Nametrimethyl-[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]silane
PubChem CID56683670
Molecular FormulaC18H21N3OSi
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Nametrimethyl-[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]silane
SMILESC[Si](C)(C)c1cn(Cc2cccc(Oc3ccccc3)c2)nn1
InChIInChI=1S/C18H21N3OSi/c1-23(2,3)18-14-21(20-19-18)13-15-8-7-11-17(12-15)22-16-9-5-4-6-10-16/h4-12,14H,13H2,1-3H3
InChIKeyFQERHXRLDKQKDY-UHFFFAOYSA-N
XLogP3.66
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]silane?
The IUPAC name of trimethyl-[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]silane (CID 56683670) is trimethyl-[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]silane.
What is the SMILES notation for trimethyl-[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]silane?
The canonical SMILES for trimethyl-[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]silane is C[Si](C)(C)c1cn(Cc2cccc(Oc3ccccc3)c2)nn1.
What is the InChIKey of trimethyl-[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]silane?
The InChIKey is FQERHXRLDKQKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OSi/c1-23(2,3)18-14-21(20-19-18)13-15-8-7-11-17(12-15)22-16-9-5-4-6-10-16/h4-12,14H,13H2,1-3H3.
What are the key properties of trimethyl-[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]silane?
trimethyl-[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]silane has a molecular weight of 323.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]silane is sourced from PubChem (CID 56683670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).