[5-(5-fluoro-2-pyridinyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol

C12H17FN4OSi — CID 67499018

IUPAC[5-(5-fluoro-2-pyridinyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol
SMILESC[Si](C)(C)Cn1nnc(-c2ccc(F)cn2)c1CO
InChIInChI=1S/C12H17FN4OSi/c1-19(2,3)8-17-11(7-18)12(15-16-17)10-5-4-9(13)6-14-10/h4-6,18H,7-8H2,1-3H3
InChIKeyMWIHOGBRVSOWMB-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.85
Rot. Bonds4

About [5-(5-fluoro-2-pyridinyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol

[5-(5-fluoro-2-pyridinyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol (PubChem CID 67499018) has the molecular formula C12H17FN4OSi and a molecular weight of 280.38 g/mol. Its IUPAC name is [5-(5-fluoro-2-pyridinyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(5-fluoro-2-pyridinyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol
PubChem CID67499018
Molecular FormulaC12H17FN4OSi
Molecular Weight280.38 g/mol
Exact Mass280.12
IUPAC Name[5-(5-fluoro-2-pyridinyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol
SMILESC[Si](C)(C)Cn1nnc(-c2ccc(F)cn2)c1CO
InChIInChI=1S/C12H17FN4OSi/c1-19(2,3)8-17-11(7-18)12(15-16-17)10-5-4-9(13)6-14-10/h4-6,18H,7-8H2,1-3H3
InChIKeyMWIHOGBRVSOWMB-UHFFFAOYSA-N
XLogP1.85
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(5-fluoro-2-pyridinyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol?
The IUPAC name of [5-(5-fluoro-2-pyridinyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol (CID 67499018) is [5-(5-fluoro-2-pyridinyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-(5-fluoro-2-pyridinyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol?
The canonical SMILES for [5-(5-fluoro-2-pyridinyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol is C[Si](C)(C)Cn1nnc(-c2ccc(F)cn2)c1CO.
What is the InChIKey of [5-(5-fluoro-2-pyridinyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol?
The InChIKey is MWIHOGBRVSOWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4OSi/c1-19(2,3)8-17-11(7-18)12(15-16-17)10-5-4-9(13)6-14-10/h4-6,18H,7-8H2,1-3H3.
What are the key properties of [5-(5-fluoro-2-pyridinyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol?
[5-(5-fluoro-2-pyridinyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol has a molecular weight of 280.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-fluoro-2-pyridinyl)-3-(trimethylsilylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 67499018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).