2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane

C8H16BrN3OSi — CID 153333736

IUPAC2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc(Br)n1
InChIInChI=1S/C8H16BrN3OSi/c1-14(2,3)5-4-13-7-12-10-6-8(9)11-12/h6H,4-5,7H2,1-3H3
InChIKeyYKSMHWUHHHDPAL-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.35
Rot. Bonds5

About 2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane

2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane (PubChem CID 153333736) has the molecular formula C8H16BrN3OSi and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane
PubChem CID153333736
Molecular FormulaC8H16BrN3OSi
Molecular Weight278.23 g/mol
Exact Mass277.02
IUPAC Name2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc(Br)n1
InChIInChI=1S/C8H16BrN3OSi/c1-14(2,3)5-4-13-7-12-10-6-8(9)11-12/h6H,4-5,7H2,1-3H3
InChIKeyYKSMHWUHHHDPAL-UHFFFAOYSA-N
XLogP2.35
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-2-yl]methoxy]ethyl]silane
CID 156678796
[2-(2-trimethylsilylethoxymethyl)triazol-4-yl]methyl methanesulfonate
CID 123264105
2-[[4-(benzenesulfonylmethyl)triazol-2-yl]methoxy]ethyl-trimethylsilane
CID 170992405
2-[(5-bromoimidazo[4,5-b]pyrazin-3-yl)methoxy]ethyl-trimethylsilane
CID 131742099
2-[(5-bromo-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 125480758
3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile
CID 135086401
2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 177304121
2-[[5-bromo-3-(1-ethylpyrazol-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 175308979
2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 175192974
1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol
CID 90030095
2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527
2-[(7-bromopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 140869978

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane (CID 153333736) is 2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ncc(Br)n1.
What is the InChIKey of 2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is YKSMHWUHHHDPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrN3OSi/c1-14(2,3)5-4-13-7-12-10-6-8(9)11-12/h6H,4-5,7H2,1-3H3.
What are the key properties of 2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane?
2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 278.23 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 153333736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).