trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane

C13H19N3O3Si — CID 11637903

IUPACtrimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1cc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C13H19N3O3Si/c1-20(2,3)7-6-19-10-15-9-11-8-12(16(17)18)4-5-13(11)14-15/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyCASFQZTVBHEKDF-UHFFFAOYSA-N
MW293.40 g/mol
LogP3.26
Rot. Bonds6

About trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane

trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane (PubChem CID 11637903) has the molecular formula C13H19N3O3Si and a molecular weight of 293.40 g/mol. Its IUPAC name is trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane
PubChem CID11637903
Molecular FormulaC13H19N3O3Si
Molecular Weight293.40 g/mol
Exact Mass293.12
IUPAC Nametrimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1cc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C13H19N3O3Si/c1-20(2,3)7-6-19-10-15-9-11-8-12(16(17)18)4-5-13(11)14-15/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyCASFQZTVBHEKDF-UHFFFAOYSA-N
XLogP3.26
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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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Related Compounds

2-(5-nitroindazol-2-yl)ethyl methanesulfonate
CID 118253023
trimethyl-[2-[(5-pyrazin-2-ylindazol-2-yl)methoxy]ethyl]silane
CID 90398670
4-[2-(5-nitroindazol-2-yl)ethyl]morpholine
CID 23936574
5-nitro-2-(4-phenylbutyl)indazole
CID 66776382
trimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane
CID 173236661
trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane
CID 68672964
2-hydrazinyl-7-nitro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 156800678
trimethyl-[2-[[5-(4-nitrophenyl)imidazol-1-yl]methoxy]ethyl]silane
CID 22018541
2-[(2-iodo-5-nitro-3H-indazol-1-yl)methoxy]ethyl-trimethylsilane
CID 151274728
trimethyl-[2-[(2-methyl-4-nitroimidazol-1-yl)methoxy]ethyl]silane
CID 168974471
trimethyl-[2-[[5-nitro-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl]silane
CID 168728003
trimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane
CID 175982890

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane (CID 11637903) is trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane is C[Si](C)(C)CCOCn1cc2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane?
The InChIKey is CASFQZTVBHEKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3Si/c1-20(2,3)7-6-19-10-15-9-11-8-12(16(17)18)4-5-13(11)14-15/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane?
trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane has a molecular weight of 293.40 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane is sourced from PubChem (CID 11637903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).