6-(2,4,6-trimethylphenyl)pyridazine-3-carbaldehyde

C14H14N2O — CID 82287819

IUPAC6-(2,4,6-trimethylphenyl)pyridazine-3-carbaldehyde
SMILESCc1cc(C)c(-c2ccc(C=O)nn2)c(C)c1
InChIInChI=1S/C14H14N2O/c1-9-6-10(2)14(11(3)7-9)13-5-4-12(8-17)15-16-13/h4-8H,1-3H3
InChIKeyWEEJLUNXUHGDAW-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.88
Rot. Bonds2

About 6-(2,4,6-trimethylphenyl)pyridazine-3-carbaldehyde

6-(2,4,6-trimethylphenyl)pyridazine-3-carbaldehyde (PubChem CID 82287819) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 6-(2,4,6-trimethylphenyl)pyridazine-3-carbaldehyde.

Molecular Properties

Compound Name6-(2,4,6-trimethylphenyl)pyridazine-3-carbaldehyde
PubChem CID82287819
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name6-(2,4,6-trimethylphenyl)pyridazine-3-carbaldehyde
SMILESCc1cc(C)c(-c2ccc(C=O)nn2)c(C)c1
InChIInChI=1S/C14H14N2O/c1-9-6-10(2)14(11(3)7-9)13-5-4-12(8-17)15-16-13/h4-8H,1-3H3
InChIKeyWEEJLUNXUHGDAW-UHFFFAOYSA-N
XLogP2.88
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4,6-trimethylphenyl)pyridazine-3-carbaldehyde?
The IUPAC name of 6-(2,4,6-trimethylphenyl)pyridazine-3-carbaldehyde (CID 82287819) is 6-(2,4,6-trimethylphenyl)pyridazine-3-carbaldehyde.
What is the SMILES notation for 6-(2,4,6-trimethylphenyl)pyridazine-3-carbaldehyde?
The canonical SMILES for 6-(2,4,6-trimethylphenyl)pyridazine-3-carbaldehyde is Cc1cc(C)c(-c2ccc(C=O)nn2)c(C)c1.
What is the InChIKey of 6-(2,4,6-trimethylphenyl)pyridazine-3-carbaldehyde?
The InChIKey is WEEJLUNXUHGDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-9-6-10(2)14(11(3)7-9)13-5-4-12(8-17)15-16-13/h4-8H,1-3H3.
What are the key properties of 6-(2,4,6-trimethylphenyl)pyridazine-3-carbaldehyde?
6-(2,4,6-trimethylphenyl)pyridazine-3-carbaldehyde has a molecular weight of 226.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4,6-trimethylphenyl)pyridazine-3-carbaldehyde is sourced from PubChem (CID 82287819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).