1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-5H-indazol-4-imine

C13H23N3OSi — CID 164753966

IUPAC1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-5H-indazol-4-imine
SMILES[H]/N=C1\CCCc2c1cnn2COCC[Si](C)(C)C
InChIInChI=1S/C13H23N3OSi/c1-18(2,3)8-7-17-10-16-13-6-4-5-12(14)11(13)9-15-16/h9,14H,4-8,10H2,1-3H3/b14-12+
InChIKeyCURJLKKVDDUVGO-WYMLVPIESA-N
MW265.43 g/mol
LogP2.90
Rot. Bonds5

About 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-5H-indazol-4-imine

1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-5H-indazol-4-imine (PubChem CID 164753966) has the molecular formula C13H23N3OSi and a molecular weight of 265.43 g/mol. Its IUPAC name is 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-5H-indazol-4-imine.

Molecular Properties

Compound Name1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-5H-indazol-4-imine
PubChem CID164753966
Molecular FormulaC13H23N3OSi
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-5H-indazol-4-imine
SMILES[H]/N=C1\CCCc2c1cnn2COCC[Si](C)(C)C
InChIInChI=1S/C13H23N3OSi/c1-18(2,3)8-7-17-10-16-13-6-4-5-12(14)11(13)9-15-16/h9,14H,4-8,10H2,1-3H3/b14-12+
InChIKeyCURJLKKVDDUVGO-WYMLVPIESA-N
XLogP2.90
TPSA50.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-5H-indazol-4-imine?
The IUPAC name of 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-5H-indazol-4-imine (CID 164753966) is 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-5H-indazol-4-imine.
What is the SMILES notation for 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-5H-indazol-4-imine?
The canonical SMILES for 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-5H-indazol-4-imine is [H]/N=C1\CCCc2c1cnn2COCC[Si](C)(C)C.
What is the InChIKey of 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-5H-indazol-4-imine?
The InChIKey is CURJLKKVDDUVGO-WYMLVPIESA-N. The full InChI is InChI=1S/C13H23N3OSi/c1-18(2,3)8-7-17-10-16-13-6-4-5-12(14)11(13)9-15-16/h9,14H,4-8,10H2,1-3H3/b14-12+.
What are the key properties of 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-5H-indazol-4-imine?
1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-5H-indazol-4-imine has a molecular weight of 265.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-5H-indazol-4-imine is sourced from PubChem (CID 164753966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).