tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylindazol-6-amine

C32H52N6O4Si2 — CID 67146389

IUPACtert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylindazol-6-amine
SMILESCc1cc2cnn(CCO[Si](C)(C)C(C)(C)C)c2cc1N.Cc1cc2cnn(CCO[Si](C)(C)C(C)(C)C)c2cc1[N+](=O)[O-]
InChIInChI=1S/C16H25N3O3Si.C16H27N3OSi/c1-12-9-13-11-17-18(15(13)10-14(12)19(20)21)7-8-22-23(5,6)16(2,3)4;1-12-9-13-11-18-19(15(13)10-14(12)17)7-8-20-21(5,6)16(2,3)4/h9-11H,7-8H2,1-6H3;9-11H,7-8,17H2,1-6H3
InChIKeyVFFFRNQEZPJVEX-UHFFFAOYSA-N
MW640.98 g/mol
LogP8.22
Rot. Bonds9

About tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylindazol-6-amine

tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylindazol-6-amine (PubChem CID 67146389) has the molecular formula C32H52N6O4Si2 and a molecular weight of 640.98 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylindazol-6-amine.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylindazol-6-amine
PubChem CID67146389
Molecular FormulaC32H52N6O4Si2
Molecular Weight640.98 g/mol
Exact Mass640.36
IUPAC Nametert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylindazol-6-amine
SMILESCc1cc2cnn(CCO[Si](C)(C)C(C)(C)C)c2cc1N.Cc1cc2cnn(CCO[Si](C)(C)C(C)(C)C)c2cc1[N+](=O)[O-]
InChIInChI=1S/C16H25N3O3Si.C16H27N3OSi/c1-12-9-13-11-17-18(15(13)10-14(12)19(20)21)7-8-22-23(5,6)16(2,3)4;1-12-9-13-11-18-19(15(13)10-14(12)17)7-8-20-21(5,6)16(2,3)4/h9-11H,7-8H2,1-6H3;9-11H,7-8,17H2,1-6H3
InChIKeyVFFFRNQEZPJVEX-UHFFFAOYSA-N
XLogP8.22
TPSA123.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.98
LogP ≤ 58.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylindazol-6-amine?
The IUPAC name of tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylindazol-6-amine (CID 67146389) is tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylindazol-6-amine.
What is the SMILES notation for tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylindazol-6-amine?
The canonical SMILES for tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylindazol-6-amine is Cc1cc2cnn(CCO[Si](C)(C)C(C)(C)C)c2cc1N.Cc1cc2cnn(CCO[Si](C)(C)C(C)(C)C)c2cc1[N+](=O)[O-].
What is the InChIKey of tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylindazol-6-amine?
The InChIKey is VFFFRNQEZPJVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3Si.C16H27N3OSi/c1-12-9-13-11-17-18(15(13)10-14(12)19(20)21)7-8-22-23(5,6)16(2,3)4;1-12-9-13-11-18-19(15(13)10-14(12)17)7-8-20-21(5,6)16(2,3)4/h9-11H,7-8H2,1-6H3;9-11H,7-8,17H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylindazol-6-amine?
tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylindazol-6-amine has a molecular weight of 640.98 g/mol, XLogP of 8.22, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylindazol-6-amine is sourced from PubChem (CID 67146389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).