[4-(5-bromo-6-methyl-2-pyridinyl)-5-(oxan-2-yloxymethyl)triazol-1-yl]methyl-trimethylsilane

C18H27BrN4O2Si — CID 175538273

IUPAC[4-(5-bromo-6-methyl-2-pyridinyl)-5-(oxan-2-yloxymethyl)triazol-1-yl]methyl-trimethylsilane
SMILESCc1nc(-c2nnn(C[Si](C)(C)C)c2COC2CCCCO2)ccc1Br
InChIInChI=1S/C18H27BrN4O2Si/c1-13-14(19)8-9-15(20-13)18-16(11-25-17-7-5-6-10-24-17)23(22-21-18)12-26(2,3)4/h8-9,17H,5-7,10-12H2,1-4H3
InChIKeyGDWABNBGJWYENY-UHFFFAOYSA-N
MW439.43 g/mol
LogP4.33
Rot. Bonds6

About [4-(5-bromo-6-methyl-2-pyridinyl)-5-(oxan-2-yloxymethyl)triazol-1-yl]methyl-trimethylsilane

[4-(5-bromo-6-methyl-2-pyridinyl)-5-(oxan-2-yloxymethyl)triazol-1-yl]methyl-trimethylsilane (PubChem CID 175538273) has the molecular formula C18H27BrN4O2Si and a molecular weight of 439.43 g/mol. Its IUPAC name is [4-(5-bromo-6-methyl-2-pyridinyl)-5-(oxan-2-yloxymethyl)triazol-1-yl]methyl-trimethylsilane.

Molecular Properties

Compound Name[4-(5-bromo-6-methyl-2-pyridinyl)-5-(oxan-2-yloxymethyl)triazol-1-yl]methyl-trimethylsilane
PubChem CID175538273
Molecular FormulaC18H27BrN4O2Si
Molecular Weight439.43 g/mol
Exact Mass438.11
IUPAC Name[4-(5-bromo-6-methyl-2-pyridinyl)-5-(oxan-2-yloxymethyl)triazol-1-yl]methyl-trimethylsilane
SMILESCc1nc(-c2nnn(C[Si](C)(C)C)c2COC2CCCCO2)ccc1Br
InChIInChI=1S/C18H27BrN4O2Si/c1-13-14(19)8-9-15(20-13)18-16(11-25-17-7-5-6-10-24-17)23(22-21-18)12-26(2,3)4/h8-9,17H,5-7,10-12H2,1-4H3
InChIKeyGDWABNBGJWYENY-UHFFFAOYSA-N
XLogP4.33
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyloxy-3-methyl-5-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrazine
CID 154936316
methyl 2-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxymethyl]cyclobutane-1-carboxylate
CID 175234506
methyl 2-[5-[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-3-yl]acetate
CID 166105611
2-(furan-3-yl)-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyridine
CID 175906941
propan-2-yl 3-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 175696876
5-[bromo(difluoro)methyl]-1-[(4-methoxyphenyl)methyl]-4-(oxan-2-yloxymethyl)triazole
CID 59138041
methyl 2-[4-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate
CID 166105493
(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
4-cyclopropyl-2-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrimidin-5-ol
CID 168931729
5-bromo-4-ethyl-2-[1-methyl-5-(oxan-2-yloxymethyl)pyrazol-4-yl]pyrimidine
CID 169096053
methyl 3-[(4-methoxyphenyl)methyl]-5-(oxan-2-yloxymethyl)triazole-4-carboxylate
CID 67023050
ethyl (1S,2R,5R)-2-[[6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxy]bicyclo[3.1.0]hexane-6-carboxylate
CID 164831227

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-6-methyl-2-pyridinyl)-5-(oxan-2-yloxymethyl)triazol-1-yl]methyl-trimethylsilane?
The IUPAC name of [4-(5-bromo-6-methyl-2-pyridinyl)-5-(oxan-2-yloxymethyl)triazol-1-yl]methyl-trimethylsilane (CID 175538273) is [4-(5-bromo-6-methyl-2-pyridinyl)-5-(oxan-2-yloxymethyl)triazol-1-yl]methyl-trimethylsilane.
What is the SMILES notation for [4-(5-bromo-6-methyl-2-pyridinyl)-5-(oxan-2-yloxymethyl)triazol-1-yl]methyl-trimethylsilane?
The canonical SMILES for [4-(5-bromo-6-methyl-2-pyridinyl)-5-(oxan-2-yloxymethyl)triazol-1-yl]methyl-trimethylsilane is Cc1nc(-c2nnn(C[Si](C)(C)C)c2COC2CCCCO2)ccc1Br.
What is the InChIKey of [4-(5-bromo-6-methyl-2-pyridinyl)-5-(oxan-2-yloxymethyl)triazol-1-yl]methyl-trimethylsilane?
The InChIKey is GDWABNBGJWYENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN4O2Si/c1-13-14(19)8-9-15(20-13)18-16(11-25-17-7-5-6-10-24-17)23(22-21-18)12-26(2,3)4/h8-9,17H,5-7,10-12H2,1-4H3.
What are the key properties of [4-(5-bromo-6-methyl-2-pyridinyl)-5-(oxan-2-yloxymethyl)triazol-1-yl]methyl-trimethylsilane?
[4-(5-bromo-6-methyl-2-pyridinyl)-5-(oxan-2-yloxymethyl)triazol-1-yl]methyl-trimethylsilane has a molecular weight of 439.43 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-6-methyl-2-pyridinyl)-5-(oxan-2-yloxymethyl)triazol-1-yl]methyl-trimethylsilane is sourced from PubChem (CID 175538273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).