benzotriazol-1-yl(trimethyl)silane

C9H13N3Si — CID 3558326

IUPACbenzotriazol-1-yl(trimethyl)silane
SMILESC[Si](C)(C)n1nnc2ccccc21
InChIInChI=1S/C9H13N3Si/c1-13(2,3)12-9-7-5-4-6-8(9)10-11-12/h4-7H,1-3H3
InChIKeyVHOLOZYRMQVHBK-UHFFFAOYSA-N
MW191.31 g/mol
LogP2.11
Rot. Bonds1

About benzotriazol-1-yl(trimethyl)silane

benzotriazol-1-yl(trimethyl)silane (PubChem CID 3558326) has the molecular formula C9H13N3Si and a molecular weight of 191.31 g/mol. Its IUPAC name is benzotriazol-1-yl(trimethyl)silane.

Molecular Properties

Compound Namebenzotriazol-1-yl(trimethyl)silane
PubChem CID3558326
Molecular FormulaC9H13N3Si
Molecular Weight191.31 g/mol
Exact Mass191.09
IUPAC Namebenzotriazol-1-yl(trimethyl)silane
SMILESC[Si](C)(C)n1nnc2ccccc21
InChIInChI=1S/C9H13N3Si/c1-13(2,3)12-9-7-5-4-6-8(9)10-11-12/h4-7H,1-3H3
InChIKeyVHOLOZYRMQVHBK-UHFFFAOYSA-N
XLogP2.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzotriazol-1-yl(trimethyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl(trimethyl)silane?
The IUPAC name of benzotriazol-1-yl(trimethyl)silane (CID 3558326) is benzotriazol-1-yl(trimethyl)silane.
What is the SMILES notation for benzotriazol-1-yl(trimethyl)silane?
The canonical SMILES for benzotriazol-1-yl(trimethyl)silane is C[Si](C)(C)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl(trimethyl)silane?
The InChIKey is VHOLOZYRMQVHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3Si/c1-13(2,3)12-9-7-5-4-6-8(9)10-11-12/h4-7H,1-3H3.
What are the key properties of benzotriazol-1-yl(trimethyl)silane?
benzotriazol-1-yl(trimethyl)silane has a molecular weight of 191.31 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl(trimethyl)silane is sourced from PubChem (CID 3558326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).