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

C17H25N3O2Si — CID 153483568

IUPAC4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenol
SMILESC[Si](C)(C)CCOCn1nc(C2CC2)nc1-c1ccc(O)cc1
InChIInChI=1S/C17H25N3O2Si/c1-23(2,3)11-10-22-12-20-17(14-6-8-15(21)9-7-14)18-16(19-20)13-4-5-13/h6-9,13,21H,4-5,10-12H2,1-3H3
InChIKeyGTXQNEWODMRRGG-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.84
Rot. Bonds7

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

4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenol (PubChem CID 153483568) has the molecular formula C17H25N3O2Si and a molecular weight of 331.49 g/mol. Its IUPAC name is 4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenol
PubChem CID153483568
Molecular FormulaC17H25N3O2Si
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenol
SMILESC[Si](C)(C)CCOCn1nc(C2CC2)nc1-c1ccc(O)cc1
InChIInChI=1S/C17H25N3O2Si/c1-23(2,3)11-10-22-12-20-17(14-6-8-15(21)9-7-14)18-16(19-20)13-4-5-13/h6-9,13,21H,4-5,10-12H2,1-3H3
InChIKeyGTXQNEWODMRRGG-UHFFFAOYSA-N
XLogP3.84
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.84
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]-3-fluorophenol
CID 153483547
4-[5-cyclopropyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]aniline
CID 169122111
[5-cyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid
CID 170903552
3-(4-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
CID 168874537
1-[4-[4-[4-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]phenyl]cyclohexyl]propan-2-one
CID 159438084
N-[4-[5-bromo-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149320
2-[(5-bromo-3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane
CID 170992560
2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 71562636
4-[3-morpholin-4-yl-2-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-2-ium-5-yl]phenol
CID 153483574
methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 171830742
3-(6-chloropyrimidin-4-yl)-2-(2-trimethylsilylethoxymethyl)indazol-5-ol
CID 136640945
2-[[5-cyclopropyl-3-(2,5-dichloropyrimidin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 171627565

Frequently Asked Questions

What is the IUPAC name of 4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenol (CID 153483568) is 4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenol is C[Si](C)(C)CCOCn1nc(C2CC2)nc1-c1ccc(O)cc1.
What is the InChIKey of 4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenol?
The InChIKey is GTXQNEWODMRRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2Si/c1-23(2,3)11-10-22-12-20-17(14-6-8-15(21)9-7-14)18-16(19-20)13-4-5-13/h6-9,13,21H,4-5,10-12H2,1-3H3.
What are the key properties of 4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenol?
4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenol has a molecular weight of 331.49 g/mol, XLogP of 3.84, 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]phenol is sourced from PubChem (CID 153483568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).