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

C14H20F3N3OSi — CID 59276665

IUPAC3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine
SMILESC[Si](C)(C)CCOCn1nc(C(F)(F)F)c2ccc(N)cc21
InChIInChI=1S/C14H20F3N3OSi/c1-22(2,3)7-6-21-9-20-12-8-10(18)4-5-11(12)13(19-20)14(15,16)17/h4-5,8H,6-7,9,18H2,1-3H3
InChIKeyXWBSAYAXVUQHEY-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.95
Rot. Bonds5

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

3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine (PubChem CID 59276665) has the molecular formula C14H20F3N3OSi and a molecular weight of 331.41 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine
PubChem CID59276665
Molecular FormulaC14H20F3N3OSi
Molecular Weight331.41 g/mol
Exact Mass331.13
IUPAC Name3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine
SMILESC[Si](C)(C)CCOCn1nc(C(F)(F)F)c2ccc(N)cc21
InChIInChI=1S/C14H20F3N3OSi/c1-22(2,3)7-6-21-9-20-12-8-10(18)4-5-11(12)13(19-20)14(15,16)17/h4-5,8H,6-7,9,18H2,1-3H3
InChIKeyXWBSAYAXVUQHEY-UHFFFAOYSA-N
XLogP3.95
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.95
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-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine?
The IUPAC name of 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine (CID 59276665) is 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine.
What is the SMILES notation for 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine?
The canonical SMILES for 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine is C[Si](C)(C)CCOCn1nc(C(F)(F)F)c2ccc(N)cc21.
What is the InChIKey of 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine?
The InChIKey is XWBSAYAXVUQHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3OSi/c1-22(2,3)7-6-21-9-20-12-8-10(18)4-5-11(12)13(19-20)14(15,16)17/h4-5,8H,6-7,9,18H2,1-3H3.
What are the key properties of 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine?
3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine has a molecular weight of 331.41 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-amine is sourced from PubChem (CID 59276665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).