4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-fluorophenol

C17H24FN3O2Si — CID 153483547

IUPAC4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-fluorophenol
SMILESC[Si](C)(C)CCOCn1nc(C2CC2)nc1-c1ccc(O)cc1F
InChIInChI=1S/C17H24FN3O2Si/c1-24(2,3)9-8-23-11-21-17(19-16(20-21)12-4-5-12)14-7-6-13(22)10-15(14)18/h6-7,10,12,22H,4-5,8-9,11H2,1-3H3
InChIKeyQMAKHLILTDSPAJ-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.98
Rot. Bonds7

About 4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-fluorophenol

4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-fluorophenol (PubChem CID 153483547) has the molecular formula C17H24FN3O2Si and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-fluorophenol.

Molecular Properties

Compound Name4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-fluorophenol
PubChem CID153483547
Molecular FormulaC17H24FN3O2Si
Molecular Weight349.48 g/mol
Exact Mass349.16
IUPAC Name4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-fluorophenol
SMILESC[Si](C)(C)CCOCn1nc(C2CC2)nc1-c1ccc(O)cc1F
InChIInChI=1S/C17H24FN3O2Si/c1-24(2,3)9-8-23-11-21-17(19-16(20-21)12-4-5-12)14-7-6-13(22)10-15(14)18/h6-7,10,12,22H,4-5,8-9,11H2,1-3H3
InChIKeyQMAKHLILTDSPAJ-UHFFFAOYSA-N
XLogP3.98
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenol
CID 153483568
3-[[3-cyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]oxymethyl]-2,4-difluoroaniline
CID 171465734
[5-cyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid
CID 170903552
5-hydroxy-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one
CID 165406423
5-fluoro-7-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-ol
CID 163233761
4-[5-cyclopropyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]aniline
CID 169122111
3-(4-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
CID 168874537
2-[[3-bromo-5-(7-fluoro-1-benzothiophen-3-yl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123828522
2-[[13-chloro-11-(difluoromethyl)-8-(2,6-difluorophenyl)-5-methyl-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-3-yl]methoxy]ethyl-trimethylsilane
CID 171630228
2-[[5-(2-bromo-5-fluorophenyl)-4-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 176588942
2-[[3-bromo-5-(2,6-difluorophenyl)-7-fluoro-4,5-dihydropyrazolo[4,3-c]isoquinolin-2-yl]methoxy]ethyl-trimethylsilane
CID 123493003
3-(6-chloropyrimidin-4-yl)-2-(2-trimethylsilylethoxymethyl)indazol-5-ol
CID 136640945

Frequently Asked Questions

What is the IUPAC name of 4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-fluorophenol?
The IUPAC name of 4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-fluorophenol (CID 153483547) is 4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-fluorophenol.
What is the SMILES notation for 4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-fluorophenol?
The canonical SMILES for 4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-fluorophenol is C[Si](C)(C)CCOCn1nc(C2CC2)nc1-c1ccc(O)cc1F.
What is the InChIKey of 4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-fluorophenol?
The InChIKey is QMAKHLILTDSPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2Si/c1-24(2,3)9-8-23-11-21-17(19-16(20-21)12-4-5-12)14-7-6-13(22)10-15(14)18/h6-7,10,12,22H,4-5,8-9,11H2,1-3H3.
What are the key properties of 4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-fluorophenol?
4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-fluorophenol has a molecular weight of 349.48 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-fluorophenol is sourced from PubChem (CID 153483547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).