(3-bromo-1H-benzotriazol-2-yl)-tert-butyl-dimethylsilane

C12H20BrN3Si — CID 91135818

IUPAC(3-bromo-1H-benzotriazol-2-yl)-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)N1Nc2ccccc2N1Br
InChIInChI=1S/C12H20BrN3Si/c1-12(2,3)17(4,5)16-14-10-8-6-7-9-11(10)15(16)13/h6-9,14H,1-5H3
InChIKeyXGHBRMATFDFBQT-UHFFFAOYSA-N
MW314.30 g/mol
LogP4.37
Rot. Bonds1

About (3-bromo-1H-benzotriazol-2-yl)-tert-butyl-dimethylsilane

(3-bromo-1H-benzotriazol-2-yl)-tert-butyl-dimethylsilane (PubChem CID 91135818) has the molecular formula C12H20BrN3Si and a molecular weight of 314.30 g/mol. Its IUPAC name is (3-bromo-1H-benzotriazol-2-yl)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(3-bromo-1H-benzotriazol-2-yl)-tert-butyl-dimethylsilane
PubChem CID91135818
Molecular FormulaC12H20BrN3Si
Molecular Weight314.30 g/mol
Exact Mass313.06
IUPAC Name(3-bromo-1H-benzotriazol-2-yl)-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)N1Nc2ccccc2N1Br
InChIInChI=1S/C12H20BrN3Si/c1-12(2,3)17(4,5)16-14-10-8-6-7-9-11(10)15(16)13/h6-9,14H,1-5H3
InChIKeyXGHBRMATFDFBQT-UHFFFAOYSA-N
XLogP4.37
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-1H-benzotriazol-2-yl)-tert-butyl-dimethylsilane?
The IUPAC name of (3-bromo-1H-benzotriazol-2-yl)-tert-butyl-dimethylsilane (CID 91135818) is (3-bromo-1H-benzotriazol-2-yl)-tert-butyl-dimethylsilane.
What is the SMILES notation for (3-bromo-1H-benzotriazol-2-yl)-tert-butyl-dimethylsilane?
The canonical SMILES for (3-bromo-1H-benzotriazol-2-yl)-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)N1Nc2ccccc2N1Br.
What is the InChIKey of (3-bromo-1H-benzotriazol-2-yl)-tert-butyl-dimethylsilane?
The InChIKey is XGHBRMATFDFBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3Si/c1-12(2,3)17(4,5)16-14-10-8-6-7-9-11(10)15(16)13/h6-9,14H,1-5H3.
What are the key properties of (3-bromo-1H-benzotriazol-2-yl)-tert-butyl-dimethylsilane?
(3-bromo-1H-benzotriazol-2-yl)-tert-butyl-dimethylsilane has a molecular weight of 314.30 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1H-benzotriazol-2-yl)-tert-butyl-dimethylsilane is sourced from PubChem (CID 91135818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).