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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Related Compounds

(4-fluorophenyl)-methyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane
CID 70499020
3-methyl-3-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 70475201
2,2-dimethyl-5-[(4-phenylphenyl)methyl]-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
CID 14556779
1-[2-[2-(4-phenylphenoxy)ethoxy]ethyl]-1,2,4-triazole
CID 2199683
4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]phenol
CID 23585512
dimethoxy-phenyl-[3-(1,2,4-triazol-1-yl)propyl]silane
CID 59630466
tris(4-chlorophenyl)-(1,2,4-triazol-1-ylmethyl)silane
CID 13474657
3-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2-oxazole
CID 15074731
(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol
CID 51669163
1-phenyl-2-(1,2,4-triazol-1-yl)ethanone
CID 2764809
1-(benzylsulfanylmethyl)-1,2,4-triazole
CID 134830861
ethyl N-(phenylcarbamoyl)-2-(1,2,4-triazol-1-yl)ethanimidate
CID 1475746

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).