tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;5-methyl-6-nitro-1H-indazole

C24H32N6O5Si — CID 87286391

IUPACtert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;5-methyl-6-nitro-1H-indazole
SMILESCc1cc2cn[nH]c2cc1[N+](=O)[O-].Cc1cc2cnn(CCO[Si](C)(C)C(C)(C)C)c2cc1[N+](=O)[O-]
InChIInChI=1S/C16H25N3O3Si.C8H7N3O2/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;1-5-2-6-4-9-10-7(6)3-8(5)11(12)13/h9-11H,7-8H2,1-6H3;2-4H,1H3,(H,9,10)
InChIKeyJYADQVKAYNDYPX-UHFFFAOYSA-N
MW512.64 g/mol
LogP6.05
Rot. Bonds6

About tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;5-methyl-6-nitro-1H-indazole

tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;5-methyl-6-nitro-1H-indazole (PubChem CID 87286391) has the molecular formula C24H32N6O5Si and a molecular weight of 512.64 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;5-methyl-6-nitro-1H-indazole.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;5-methyl-6-nitro-1H-indazole
PubChem CID87286391
Molecular FormulaC24H32N6O5Si
Molecular Weight512.64 g/mol
Exact Mass512.22
IUPAC Nametert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;5-methyl-6-nitro-1H-indazole
SMILESCc1cc2cn[nH]c2cc1[N+](=O)[O-].Cc1cc2cnn(CCO[Si](C)(C)C(C)(C)C)c2cc1[N+](=O)[O-]
InChIInChI=1S/C16H25N3O3Si.C8H7N3O2/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;1-5-2-6-4-9-10-7(6)3-8(5)11(12)13/h9-11H,7-8H2,1-6H3;2-4H,1H3,(H,9,10)
InChIKeyJYADQVKAYNDYPX-UHFFFAOYSA-N
XLogP6.05
TPSA142.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.64
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;5-methyl-6-nitro-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;5-methyl-6-nitro-1H-indazole?
The IUPAC name of tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;5-methyl-6-nitro-1H-indazole (CID 87286391) is tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;5-methyl-6-nitro-1H-indazole.
What is the SMILES notation for tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;5-methyl-6-nitro-1H-indazole?
The canonical SMILES for tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;5-methyl-6-nitro-1H-indazole is Cc1cc2cn[nH]c2cc1[N+](=O)[O-].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;5-methyl-6-nitro-1H-indazole?
The InChIKey is JYADQVKAYNDYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3Si.C8H7N3O2/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;1-5-2-6-4-9-10-7(6)3-8(5)11(12)13/h9-11H,7-8H2,1-6H3;2-4H,1H3,(H,9,10).
What are the key properties of tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;5-methyl-6-nitro-1H-indazole?
tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;5-methyl-6-nitro-1H-indazole has a molecular weight of 512.64 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-(5-methyl-6-nitroindazol-1-yl)ethoxy]silane;5-methyl-6-nitro-1H-indazole is sourced from PubChem (CID 87286391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).