3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine

C21H27N3OSi — CID 69370980

IUPAC3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine
SMILESC[Si](C)(C)CCOCn1nc(C=Cc2ccccc2)c2ccc(N)cc21
InChIInChI=1S/C21H27N3OSi/c1-26(2,3)14-13-25-16-24-21-15-18(22)10-11-19(21)20(23-24)12-9-17-7-5-4-6-8-17/h4-12,15H,13-14,16,22H2,1-3H3
InChIKeyHQWPKLRJOBUFDO-UHFFFAOYSA-N
MW365.55 g/mol
LogP5.10
Rot. Bonds7

About 3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine

3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine (PubChem CID 69370980) has the molecular formula C21H27N3OSi and a molecular weight of 365.55 g/mol. Its IUPAC name is 3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine.

Molecular Properties

Compound Name3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine
PubChem CID69370980
Molecular FormulaC21H27N3OSi
Molecular Weight365.55 g/mol
Exact Mass365.19
IUPAC Name3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine
SMILESC[Si](C)(C)CCOCn1nc(C=Cc2ccccc2)c2ccc(N)cc21
InChIInChI=1S/C21H27N3OSi/c1-26(2,3)14-13-25-16-24-21-15-18(22)10-11-19(21)20(23-24)12-9-17-7-5-4-6-8-17/h4-12,15H,13-14,16,22H2,1-3H3
InChIKeyHQWPKLRJOBUFDO-UHFFFAOYSA-N
XLogP5.10
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.55
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine?
The IUPAC name of 3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine (CID 69370980) is 3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine.
What is the SMILES notation for 3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine?
The canonical SMILES for 3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine is C[Si](C)(C)CCOCn1nc(C=Cc2ccccc2)c2ccc(N)cc21.
What is the InChIKey of 3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine?
The InChIKey is HQWPKLRJOBUFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OSi/c1-26(2,3)14-13-25-16-24-21-15-18(22)10-11-19(21)20(23-24)12-9-17-7-5-4-6-8-17/h4-12,15H,13-14,16,22H2,1-3H3.
What are the key properties of 3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine?
3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine has a molecular weight of 365.55 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine is sourced from PubChem (CID 69370980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).