6-(2,3,5,6-tetramethylphenyl)pyridazine-3-carbaldehyde

C15H16N2O — CID 82292782

IUPAC6-(2,3,5,6-tetramethylphenyl)pyridazine-3-carbaldehyde
SMILESCc1cc(C)c(C)c(-c2ccc(C=O)nn2)c1C
InChIInChI=1S/C15H16N2O/c1-9-7-10(2)12(4)15(11(9)3)14-6-5-13(8-18)16-17-14/h5-8H,1-4H3
InChIKeySXUXGLLSILODBC-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.19
Rot. Bonds2

About 6-(2,3,5,6-tetramethylphenyl)pyridazine-3-carbaldehyde

6-(2,3,5,6-tetramethylphenyl)pyridazine-3-carbaldehyde (PubChem CID 82292782) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-(2,3,5,6-tetramethylphenyl)pyridazine-3-carbaldehyde.

Molecular Properties

Compound Name6-(2,3,5,6-tetramethylphenyl)pyridazine-3-carbaldehyde
PubChem CID82292782
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name6-(2,3,5,6-tetramethylphenyl)pyridazine-3-carbaldehyde
SMILESCc1cc(C)c(C)c(-c2ccc(C=O)nn2)c1C
InChIInChI=1S/C15H16N2O/c1-9-7-10(2)12(4)15(11(9)3)14-6-5-13(8-18)16-17-14/h5-8H,1-4H3
InChIKeySXUXGLLSILODBC-UHFFFAOYSA-N
XLogP3.19
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(2,3,5,6-tetramethylphenyl)pyridazine-3-carbaldehyde 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 6-(2,3,5,6-tetramethylphenyl)pyridazine-3-carbaldehyde?
The IUPAC name of 6-(2,3,5,6-tetramethylphenyl)pyridazine-3-carbaldehyde (CID 82292782) is 6-(2,3,5,6-tetramethylphenyl)pyridazine-3-carbaldehyde.
What is the SMILES notation for 6-(2,3,5,6-tetramethylphenyl)pyridazine-3-carbaldehyde?
The canonical SMILES for 6-(2,3,5,6-tetramethylphenyl)pyridazine-3-carbaldehyde is Cc1cc(C)c(C)c(-c2ccc(C=O)nn2)c1C.
What is the InChIKey of 6-(2,3,5,6-tetramethylphenyl)pyridazine-3-carbaldehyde?
The InChIKey is SXUXGLLSILODBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-9-7-10(2)12(4)15(11(9)3)14-6-5-13(8-18)16-17-14/h5-8H,1-4H3.
What are the key properties of 6-(2,3,5,6-tetramethylphenyl)pyridazine-3-carbaldehyde?
6-(2,3,5,6-tetramethylphenyl)pyridazine-3-carbaldehyde has a molecular weight of 240.31 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,5,6-tetramethylphenyl)pyridazine-3-carbaldehyde is sourced from PubChem (CID 82292782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).