tris(4-chlorophenyl)-(1,2,4-triazol-1-ylmethyl)silane

C21H16Cl3N3Si — CID 13474657

IUPACtris(4-chlorophenyl)-(1,2,4-triazol-1-ylmethyl)silane
SMILESClc1ccc([Si](Cn2cncn2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H16Cl3N3Si/c22-16-1-7-19(8-2-16)28(15-27-14-25-13-26-27,20-9-3-17(23)4-10-20)21-11-5-18(24)6-12-21/h1-14H,15H2
InChIKeyOMYRNEQBPXJBQG-UHFFFAOYSA-N
MW444.83 g/mol
LogP3.95
Rot. Bonds5

About tris(4-chlorophenyl)-(1,2,4-triazol-1-ylmethyl)silane

tris(4-chlorophenyl)-(1,2,4-triazol-1-ylmethyl)silane (PubChem CID 13474657) has the molecular formula C21H16Cl3N3Si and a molecular weight of 444.83 g/mol. Its IUPAC name is tris(4-chlorophenyl)-(1,2,4-triazol-1-ylmethyl)silane.

Molecular Properties

Compound Nametris(4-chlorophenyl)-(1,2,4-triazol-1-ylmethyl)silane
PubChem CID13474657
Molecular FormulaC21H16Cl3N3Si
Molecular Weight444.83 g/mol
Exact Mass443.02
IUPAC Nametris(4-chlorophenyl)-(1,2,4-triazol-1-ylmethyl)silane
SMILESClc1ccc([Si](Cn2cncn2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H16Cl3N3Si/c22-16-1-7-19(8-2-16)28(15-27-14-25-13-26-27,20-9-3-17(23)4-10-20)21-11-5-18(24)6-12-21/h1-14H,15H2
InChIKeyOMYRNEQBPXJBQG-UHFFFAOYSA-N
XLogP3.95
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.83
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-bis(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782945
2-(4-chlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol;hydrate
CID 70527557
1-[(3R)-3-(4-chlorophenyl)pentyl]-1,2,4-triazole
CID 25170664
4-(4-chlorophenyl)-4-hydroxy-1-(1,2,4-triazol-1-yl)but-3-en-2-one
CID 171316137
(1S)-1-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
CID 7100274
1-[2-(4-chlorophenyl)-2-methylsulfonylethyl]-1,2,4-triazole
CID 154227626
3-(4-chlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole
CID 16736460
2-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 68910140
(4-fluorophenyl)-methyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane
CID 70499020
hydroxy-methyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane
CID 13474665
(2S)-1,2-bis(4-chlorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-1-one
CID 11233774
1-[2-(4-chlorophenyl)-3-methylpent-4-enyl]-1,2,4-triazole
CID 175710478

Frequently Asked Questions

What is the IUPAC name of tris(4-chlorophenyl)-(1,2,4-triazol-1-ylmethyl)silane?
The IUPAC name of tris(4-chlorophenyl)-(1,2,4-triazol-1-ylmethyl)silane (CID 13474657) is tris(4-chlorophenyl)-(1,2,4-triazol-1-ylmethyl)silane.
What is the SMILES notation for tris(4-chlorophenyl)-(1,2,4-triazol-1-ylmethyl)silane?
The canonical SMILES for tris(4-chlorophenyl)-(1,2,4-triazol-1-ylmethyl)silane is Clc1ccc([Si](Cn2cncn2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of tris(4-chlorophenyl)-(1,2,4-triazol-1-ylmethyl)silane?
The InChIKey is OMYRNEQBPXJBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl3N3Si/c22-16-1-7-19(8-2-16)28(15-27-14-25-13-26-27,20-9-3-17(23)4-10-20)21-11-5-18(24)6-12-21/h1-14H,15H2.
What are the key properties of tris(4-chlorophenyl)-(1,2,4-triazol-1-ylmethyl)silane?
tris(4-chlorophenyl)-(1,2,4-triazol-1-ylmethyl)silane has a molecular weight of 444.83 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-chlorophenyl)-(1,2,4-triazol-1-ylmethyl)silane is sourced from PubChem (CID 13474657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).