diethoxy(pyridazin-3-yl)borane

C8H13BN2O2 — CID 140881581

IUPACdiethoxy(pyridazin-3-yl)borane
SMILESCCOB(OCC)c1cccnn1
InChIInChI=1S/C8H13BN2O2/c1-3-12-9(13-4-2)8-6-5-7-10-11-8/h5-7H,3-4H2,1-2H3
InChIKeyRVPWFBOKWUPJAI-UHFFFAOYSA-N
MW180.02 g/mol
LogP0.24
Rot. Bonds5

About diethoxy(pyridazin-3-yl)borane

diethoxy(pyridazin-3-yl)borane (PubChem CID 140881581) has the molecular formula C8H13BN2O2 and a molecular weight of 180.02 g/mol. Its IUPAC name is diethoxy(pyridazin-3-yl)borane.

Molecular Properties

Compound Namediethoxy(pyridazin-3-yl)borane
PubChem CID140881581
Molecular FormulaC8H13BN2O2
Molecular Weight180.02 g/mol
Exact Mass180.11
IUPAC Namediethoxy(pyridazin-3-yl)borane
SMILESCCOB(OCC)c1cccnn1
InChIInChI=1S/C8H13BN2O2/c1-3-12-9(13-4-2)8-6-5-7-10-11-8/h5-7H,3-4H2,1-2H3
InChIKeyRVPWFBOKWUPJAI-UHFFFAOYSA-N
XLogP0.24
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.02
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze diethoxy(pyridazin-3-yl)borane 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 diethoxy(pyridazin-3-yl)borane?
The IUPAC name of diethoxy(pyridazin-3-yl)borane (CID 140881581) is diethoxy(pyridazin-3-yl)borane.
What is the SMILES notation for diethoxy(pyridazin-3-yl)borane?
The canonical SMILES for diethoxy(pyridazin-3-yl)borane is CCOB(OCC)c1cccnn1.
What is the InChIKey of diethoxy(pyridazin-3-yl)borane?
The InChIKey is RVPWFBOKWUPJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BN2O2/c1-3-12-9(13-4-2)8-6-5-7-10-11-8/h5-7H,3-4H2,1-2H3.
What are the key properties of diethoxy(pyridazin-3-yl)borane?
diethoxy(pyridazin-3-yl)borane has a molecular weight of 180.02 g/mol, XLogP of 0.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(pyridazin-3-yl)borane is sourced from PubChem (CID 140881581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).