[5-(4-fluorophenyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol

C13H18FN3OSi — CID 67496703

IUPAC[5-(4-fluorophenyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol
SMILESC[Si](C)(C)Cn1nnc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C13H18FN3OSi/c1-19(2,3)9-17-12(8-18)13(15-16-17)10-4-6-11(14)7-5-10/h4-7,18H,8-9H2,1-3H3
InChIKeyVBODRJJRSBZJGM-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.45
Rot. Bonds4

About [5-(4-fluorophenyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol

[5-(4-fluorophenyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol (PubChem CID 67496703) has the molecular formula C13H18FN3OSi and a molecular weight of 279.39 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol
PubChem CID67496703
Molecular FormulaC13H18FN3OSi
Molecular Weight279.39 g/mol
Exact Mass279.12
IUPAC Name[5-(4-fluorophenyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol
SMILESC[Si](C)(C)Cn1nnc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C13H18FN3OSi/c1-19(2,3)9-17-12(8-18)13(15-16-17)10-4-6-11(14)7-5-10/h4-7,18H,8-9H2,1-3H3
InChIKeyVBODRJJRSBZJGM-UHFFFAOYSA-N
XLogP2.45
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.45
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 [5-(4-fluorophenyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol?
The IUPAC name of [5-(4-fluorophenyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol (CID 67496703) is [5-(4-fluorophenyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-(4-fluorophenyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol?
The canonical SMILES for [5-(4-fluorophenyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol is C[Si](C)(C)Cn1nnc(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [5-(4-fluorophenyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol?
The InChIKey is VBODRJJRSBZJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3OSi/c1-19(2,3)9-17-12(8-18)13(15-16-17)10-4-6-11(14)7-5-10/h4-7,18H,8-9H2,1-3H3.
What are the key properties of [5-(4-fluorophenyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol?
[5-(4-fluorophenyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol has a molecular weight of 279.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 67496703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).