2-[[3-(5-bromo-2-pyridinyl)-5-methylsulfonyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(5-bromo-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;propan-2-ol

C33H54Br2N8O6SSi2 — CID 160834353

IUPAC2-[[3-(5-bromo-2-pyridinyl)-5-methylsulfonyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(5-bromo-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;propan-2-ol
SMILESCC(C)O.CC(C)Oc1nc(-c2ccc(Br)cn2)nn1COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1nc(-c2ccc(Br)cn2)nc1S(C)(=O)=O
InChIInChI=1S/C16H25BrN4O2Si.C14H21BrN4O3SSi.C3H8O/c1-12(2)23-16-19-15(14-7-6-13(17)10-18-14)20-21(16)11-22-8-9-24(3,4)5;1-23(20,21)14-17-13(12-6-5-11(15)9-16-12)18-19(14)10-22-7-8-24(2,3)4;1-3(2)4/h6-7,10,12H,8-9,11H2,1-5H3;5-6,9H,7-8,10H2,1-4H3;3-4H,1-2H3
InChIKeySHFHJFMSYVVAAY-UHFFFAOYSA-N
MW906.89 g/mol
LogP7.41
Rot. Bonds15

About 2-[[3-(5-bromo-2-pyridinyl)-5-methylsulfonyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(5-bromo-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;propan-2-ol

2-[[3-(5-bromo-2-pyridinyl)-5-methylsulfonyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(5-bromo-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;propan-2-ol (PubChem CID 160834353) has the molecular formula C33H54Br2N8O6SSi2 and a molecular weight of 906.89 g/mol. Its IUPAC name is 2-[[3-(5-bromo-2-pyridinyl)-5-methylsulfonyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(5-bromo-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;propan-2-ol.

Molecular Properties

Compound Name2-[[3-(5-bromo-2-pyridinyl)-5-methylsulfonyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(5-bromo-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;propan-2-ol
PubChem CID160834353
Molecular FormulaC33H54Br2N8O6SSi2
Molecular Weight906.89 g/mol
Exact Mass904.18
IUPAC Name2-[[3-(5-bromo-2-pyridinyl)-5-methylsulfonyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(5-bromo-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;propan-2-ol
SMILESCC(C)O.CC(C)Oc1nc(-c2ccc(Br)cn2)nn1COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1nc(-c2ccc(Br)cn2)nc1S(C)(=O)=O
InChIInChI=1S/C16H25BrN4O2Si.C14H21BrN4O3SSi.C3H8O/c1-12(2)23-16-19-15(14-7-6-13(17)10-18-14)20-21(16)11-22-8-9-24(3,4)5;1-23(20,21)14-17-13(12-6-5-11(15)9-16-12)18-19(14)10-22-7-8-24(2,3)4;1-3(2)4/h6-7,10,12H,8-9,11H2,1-5H3;5-6,9H,7-8,10H2,1-4H3;3-4H,1-2H3
InChIKeySHFHJFMSYVVAAY-UHFFFAOYSA-N
XLogP7.41
TPSA169.26 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500906.89
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-[[3-(5-bromo-2-pyridinyl)-5-methylsulfonyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(5-bromo-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;propan-2-ol with MolForge

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Related Compounds

2-[[3-(5-bromo-2-pyridinyl)-5-methylsulfonyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethyl-λ4-sulfane
CID 118030481
methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-methylsulfonyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate
CID 123686098
tert-butyl 2-ethyl-2-[[4-methyl-5-[6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxymethyl]butanoate
CID 123934735
cyclobutanol;3-[[5-[6-[5-cyclobutyloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;methyl 2,2-dimethyl-3-[[4-methyl-5-[6-[5-methylsulfonyl-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-2-pyridinyl]oxy]propanoate
CID 158299363
methyl 3-[[5-[3-chloro-4-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoate
CID 123526232
2-[[5-(benzenesulfonyl)-3-bromo-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153356807
(2S)-2-[(1S)-2-(5-bromo-2-pyridinyl)-1-[1-(2-trimethylsilylethoxymethyl)tetrazol-5-yl]ethyl]pentanoic acid
CID 140792478
2-[[3-bromo-5-(phenylsulfonimidoyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153357237
3-[[5-bromo-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]sulfonyl]propan-1-ol
CID 153356873
methyl 2,2-dimethyl-3-[[5-[4-[5-methylsulfonyl-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]-1,2,4-triazol-3-yl]phenyl]-2-pyridinyl]oxy]propanoate
CID 118030649
3-[[5-[5-fluoro-6-(3-propan-2-yloxy-1H-1,2,4-triazol-5-yl)-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid;3-[[5-[5-fluoro-6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid
CID 158464286
methyl 3-[[5-[3-fluoro-4-[5-propan-2-yloxy-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]-1,2,4-triazol-3-yl]phenyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoate
CID 138690902

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-bromo-2-pyridinyl)-5-methylsulfonyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(5-bromo-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;propan-2-ol?
The IUPAC name of 2-[[3-(5-bromo-2-pyridinyl)-5-methylsulfonyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(5-bromo-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;propan-2-ol (CID 160834353) is 2-[[3-(5-bromo-2-pyridinyl)-5-methylsulfonyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(5-bromo-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;propan-2-ol.
What is the SMILES notation for 2-[[3-(5-bromo-2-pyridinyl)-5-methylsulfonyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(5-bromo-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;propan-2-ol?
The canonical SMILES for 2-[[3-(5-bromo-2-pyridinyl)-5-methylsulfonyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(5-bromo-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;propan-2-ol is CC(C)O.CC(C)Oc1nc(-c2ccc(Br)cn2)nn1COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1nc(-c2ccc(Br)cn2)nc1S(C)(=O)=O.
What is the InChIKey of 2-[[3-(5-bromo-2-pyridinyl)-5-methylsulfonyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(5-bromo-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;propan-2-ol?
The InChIKey is SHFHJFMSYVVAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN4O2Si.C14H21BrN4O3SSi.C3H8O/c1-12(2)23-16-19-15(14-7-6-13(17)10-18-14)20-21(16)11-22-8-9-24(3,4)5;1-23(20,21)14-17-13(12-6-5-11(15)9-16-12)18-19(14)10-22-7-8-24(2,3)4;1-3(2)4/h6-7,10,12H,8-9,11H2,1-5H3;5-6,9H,7-8,10H2,1-4H3;3-4H,1-2H3.
What are the key properties of 2-[[3-(5-bromo-2-pyridinyl)-5-methylsulfonyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(5-bromo-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;propan-2-ol?
2-[[3-(5-bromo-2-pyridinyl)-5-methylsulfonyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(5-bromo-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;propan-2-ol has a molecular weight of 906.89 g/mol, XLogP of 7.41, 15 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-bromo-2-pyridinyl)-5-methylsulfonyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(5-bromo-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;propan-2-ol is sourced from PubChem (CID 160834353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).