ethyl 5-(9-methylcarbazol-2-yl)-2-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate

C24H30N4O3Si — CID 156678798

IUPACethyl 5-(9-methylcarbazol-2-yl)-2-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate
SMILESCCOC(=O)c1nn(COCC[Si](C)(C)C)nc1-c1ccc2c3ccccc3n(C)c2c1
InChIInChI=1S/C24H30N4O3Si/c1-6-31-24(29)23-22(25-28(26-23)16-30-13-14-32(3,4)5)17-11-12-19-18-9-7-8-10-20(18)27(2)21(19)15-17/h7-12,15H,6,13-14,16H2,1-5H3
InChIKeyJJQDERGGDAKAOL-UHFFFAOYSA-N
MW450.62 g/mol
LogP5.08
Rot. Bonds8

About ethyl 5-(9-methylcarbazol-2-yl)-2-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate

ethyl 5-(9-methylcarbazol-2-yl)-2-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate (PubChem CID 156678798) has the molecular formula C24H30N4O3Si and a molecular weight of 450.62 g/mol. Its IUPAC name is ethyl 5-(9-methylcarbazol-2-yl)-2-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(9-methylcarbazol-2-yl)-2-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate
PubChem CID156678798
Molecular FormulaC24H30N4O3Si
Molecular Weight450.62 g/mol
Exact Mass450.21
IUPAC Nameethyl 5-(9-methylcarbazol-2-yl)-2-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate
SMILESCCOC(=O)c1nn(COCC[Si](C)(C)C)nc1-c1ccc2c3ccccc3n(C)c2c1
InChIInChI=1S/C24H30N4O3Si/c1-6-31-24(29)23-22(25-28(26-23)16-30-13-14-32(3,4)5)17-11-12-19-18-9-7-8-10-20(18)27(2)21(19)15-17/h7-12,15H,6,13-14,16H2,1-5H3
InChIKeyJJQDERGGDAKAOL-UHFFFAOYSA-N
XLogP5.08
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.62
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-fluoro-4-(10-methyl-9-oxoacridin-3-yl)benzoate
CID 24792645
ethyl 5-[2-(4-chlorophenyl)ethynyl]-2-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate
CID 156678789
ethyl 9-(2-trimethylsilylethoxymethyl)pyrido[3,4-b]indole-4-carboxylate
CID 10809190
ethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 59677265
ethyl 1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 69370657
ethyl 3-amino-5-methylpyrido[3,2-b]indole-2-carboxylate
CID 164562201
ethyl 2-[hydroxy-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 159174881
ethyl 5-hydroxy-4-oxo-1-(2-trimethylsilylethoxymethyl)pyridazine-3-carboxylate
CID 140713204
ethyl 3-(9-methylpyrido[3,4-b]indol-3-yl)-3-oxopropanoate
CID 90148338
ethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate
CID 59006647
2-trimethylsilylethyl 1-methyl-2-[2-[1-methyl-3-(2-trimethylsilylethoxycarbonyl)indol-2-yl]ethynyl]indole-3-carboxylate
CID 11685608
ethyl 2-(azepan-1-yl)-9-methylcarbazole-3-carboxylate
CID 43841999

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(9-methylcarbazol-2-yl)-2-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate?
The IUPAC name of ethyl 5-(9-methylcarbazol-2-yl)-2-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate (CID 156678798) is ethyl 5-(9-methylcarbazol-2-yl)-2-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(9-methylcarbazol-2-yl)-2-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate?
The canonical SMILES for ethyl 5-(9-methylcarbazol-2-yl)-2-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate is CCOC(=O)c1nn(COCC[Si](C)(C)C)nc1-c1ccc2c3ccccc3n(C)c2c1.
What is the InChIKey of ethyl 5-(9-methylcarbazol-2-yl)-2-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate?
The InChIKey is JJQDERGGDAKAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3Si/c1-6-31-24(29)23-22(25-28(26-23)16-30-13-14-32(3,4)5)17-11-12-19-18-9-7-8-10-20(18)27(2)21(19)15-17/h7-12,15H,6,13-14,16H2,1-5H3.
What are the key properties of ethyl 5-(9-methylcarbazol-2-yl)-2-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate?
ethyl 5-(9-methylcarbazol-2-yl)-2-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate has a molecular weight of 450.62 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(9-methylcarbazol-2-yl)-2-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate is sourced from PubChem (CID 156678798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).