[1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methoxymethanesulfonohydrazide

C15H30N4O4SSi — CID 175489303

IUPAC[1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methoxymethanesulfonohydrazide
SMILESC[Si](C)(C)CCOCn1ncc2c1CCCC2COCS(=O)(=O)NN
InChIInChI=1S/C15H30N4O4SSi/c1-25(2,3)8-7-22-11-19-15-6-4-5-13(14(15)9-17-19)10-23-12-24(20,21)18-16/h9,13,18H,4-8,10-12,16H2,1-3H3
InChIKeyOVEJKUKDWMROAF-UHFFFAOYSA-N
MW390.58 g/mol
LogP1.38
Rot. Bonds10

About [1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methoxymethanesulfonohydrazide

[1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methoxymethanesulfonohydrazide (PubChem CID 175489303) has the molecular formula C15H30N4O4SSi and a molecular weight of 390.58 g/mol. Its IUPAC name is [1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methoxymethanesulfonohydrazide.

Molecular Properties

Compound Name[1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methoxymethanesulfonohydrazide
PubChem CID175489303
Molecular FormulaC15H30N4O4SSi
Molecular Weight390.58 g/mol
Exact Mass390.18
IUPAC Name[1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methoxymethanesulfonohydrazide
SMILESC[Si](C)(C)CCOCn1ncc2c1CCCC2COCS(=O)(=O)NN
InChIInChI=1S/C15H30N4O4SSi/c1-25(2,3)8-7-22-11-19-15-6-4-5-13(14(15)9-17-19)10-23-12-24(20,21)18-16/h9,13,18H,4-8,10-12,16H2,1-3H3
InChIKeyOVEJKUKDWMROAF-UHFFFAOYSA-N
XLogP1.38
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.58
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 [1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methoxymethanesulfonohydrazide?
The IUPAC name of [1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methoxymethanesulfonohydrazide (CID 175489303) is [1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methoxymethanesulfonohydrazide.
What is the SMILES notation for [1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methoxymethanesulfonohydrazide?
The canonical SMILES for [1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methoxymethanesulfonohydrazide is C[Si](C)(C)CCOCn1ncc2c1CCCC2COCS(=O)(=O)NN.
What is the InChIKey of [1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methoxymethanesulfonohydrazide?
The InChIKey is OVEJKUKDWMROAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O4SSi/c1-25(2,3)8-7-22-11-19-15-6-4-5-13(14(15)9-17-19)10-23-12-24(20,21)18-16/h9,13,18H,4-8,10-12,16H2,1-3H3.
What are the key properties of [1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methoxymethanesulfonohydrazide?
[1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methoxymethanesulfonohydrazide has a molecular weight of 390.58 g/mol, XLogP of 1.38, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazol-4-yl]methoxymethanesulfonohydrazide is sourced from PubChem (CID 175489303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).