hydroxy-methyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane

C16H17N3OSi — CID 13474665

IUPAChydroxy-methyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane
SMILESC[Si](O)(Cn1cncn1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17N3OSi/c1-21(20,13-19-12-17-11-18-19)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12,20H,13H2,1H3
InChIKeyCLCLLPIVJNUIBN-UHFFFAOYSA-N
MW295.42 g/mol
LogP1.96
Rot. Bonds4

About hydroxy-methyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane

hydroxy-methyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane (PubChem CID 13474665) has the molecular formula C16H17N3OSi and a molecular weight of 295.42 g/mol. Its IUPAC name is hydroxy-methyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane.

Molecular Properties

Compound Namehydroxy-methyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane
PubChem CID13474665
Molecular FormulaC16H17N3OSi
Molecular Weight295.42 g/mol
Exact Mass295.11
IUPAC Namehydroxy-methyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane
SMILESC[Si](O)(Cn1cncn1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17N3OSi/c1-21(20,13-19-12-17-11-18-19)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12,20H,13H2,1H3
InChIKeyCLCLLPIVJNUIBN-UHFFFAOYSA-N
XLogP1.96
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
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 hydroxy-methyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane?
The IUPAC name of hydroxy-methyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane (CID 13474665) is hydroxy-methyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane.
What is the SMILES notation for hydroxy-methyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane?
The canonical SMILES for hydroxy-methyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane is C[Si](O)(Cn1cncn1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of hydroxy-methyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane?
The InChIKey is CLCLLPIVJNUIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OSi/c1-21(20,13-19-12-17-11-18-19)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12,20H,13H2,1H3.
What are the key properties of hydroxy-methyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane?
hydroxy-methyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane has a molecular weight of 295.42 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane is sourced from PubChem (CID 13474665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).