4-[benzotriazol-1-yl(trimethylsilyl)methyl]-N,N-dimethylaniline

C18H24N4Si — CID 3784942

IUPAC4-[benzotriazol-1-yl(trimethylsilyl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(n2nnc3ccccc32)[Si](C)(C)C)cc1
InChIInChI=1S/C18H24N4Si/c1-21(2)15-12-10-14(11-13-15)18(23(3,4)5)22-17-9-7-6-8-16(17)19-20-22/h6-13,18H,1-5H3
InChIKeyKGSMLGYSMVGTSO-UHFFFAOYSA-N
MW324.50 g/mol
LogP3.96
Rot. Bonds4

About 4-[benzotriazol-1-yl(trimethylsilyl)methyl]-N,N-dimethylaniline

4-[benzotriazol-1-yl(trimethylsilyl)methyl]-N,N-dimethylaniline (PubChem CID 3784942) has the molecular formula C18H24N4Si and a molecular weight of 324.50 g/mol. Its IUPAC name is 4-[benzotriazol-1-yl(trimethylsilyl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[benzotriazol-1-yl(trimethylsilyl)methyl]-N,N-dimethylaniline
PubChem CID3784942
Molecular FormulaC18H24N4Si
Molecular Weight324.50 g/mol
Exact Mass324.18
IUPAC Name4-[benzotriazol-1-yl(trimethylsilyl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(n2nnc3ccccc32)[Si](C)(C)C)cc1
InChIInChI=1S/C18H24N4Si/c1-21(2)15-12-10-14(11-13-15)18(23(3,4)5)22-17-9-7-6-8-16(17)19-20-22/h6-13,18H,1-5H3
InChIKeyKGSMLGYSMVGTSO-UHFFFAOYSA-N
XLogP3.96
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[benzotriazol-1-yl(trimethylsilyl)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[benzotriazol-1-yl(trimethylsilyl)methyl]-N,N-dimethylaniline (CID 3784942) is 4-[benzotriazol-1-yl(trimethylsilyl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[benzotriazol-1-yl(trimethylsilyl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[benzotriazol-1-yl(trimethylsilyl)methyl]-N,N-dimethylaniline is CN(C)c1ccc(C(n2nnc3ccccc32)[Si](C)(C)C)cc1.
What is the InChIKey of 4-[benzotriazol-1-yl(trimethylsilyl)methyl]-N,N-dimethylaniline?
The InChIKey is KGSMLGYSMVGTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4Si/c1-21(2)15-12-10-14(11-13-15)18(23(3,4)5)22-17-9-7-6-8-16(17)19-20-22/h6-13,18H,1-5H3.
What are the key properties of 4-[benzotriazol-1-yl(trimethylsilyl)methyl]-N,N-dimethylaniline?
4-[benzotriazol-1-yl(trimethylsilyl)methyl]-N,N-dimethylaniline has a molecular weight of 324.50 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzotriazol-1-yl(trimethylsilyl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 3784942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).