2-ethyl-6-(2-methoxy-5-methylphenyl)-3-oxopyridazine-4-carbaldehyde

C15H16N2O3 — CID 82445242

IUPAC2-ethyl-6-(2-methoxy-5-methylphenyl)-3-oxopyridazine-4-carbaldehyde
SMILESCCn1nc(-c2cc(C)ccc2OC)cc(C=O)c1=O
InChIInChI=1S/C15H16N2O3/c1-4-17-15(19)11(9-18)8-13(16-17)12-7-10(2)5-6-14(12)20-3/h5-9H,4H2,1-3H3
InChIKeyQGGOIWRWDKFQPJ-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.06
Rot. Bonds4

About 2-ethyl-6-(2-methoxy-5-methylphenyl)-3-oxopyridazine-4-carbaldehyde

2-ethyl-6-(2-methoxy-5-methylphenyl)-3-oxopyridazine-4-carbaldehyde (PubChem CID 82445242) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-ethyl-6-(2-methoxy-5-methylphenyl)-3-oxopyridazine-4-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-6-(2-methoxy-5-methylphenyl)-3-oxopyridazine-4-carbaldehyde
PubChem CID82445242
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-ethyl-6-(2-methoxy-5-methylphenyl)-3-oxopyridazine-4-carbaldehyde
SMILESCCn1nc(-c2cc(C)ccc2OC)cc(C=O)c1=O
InChIInChI=1S/C15H16N2O3/c1-4-17-15(19)11(9-18)8-13(16-17)12-7-10(2)5-6-14(12)20-3/h5-9H,4H2,1-3H3
InChIKeyQGGOIWRWDKFQPJ-UHFFFAOYSA-N
XLogP2.06
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-ethyl-6-(2-methoxy-5-methylphenyl)-3-oxopyridazine-4-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

6-(2-methoxy-5-methylphenyl)-3-oxo-2-propylpyridazine-4-carbaldehyde
CID 82446916
2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82444965
6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbaldehyde
CID 82444815
6-(2-methoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbaldehyde
CID 82447378
1-ethyl-5-(methoxymethyl)-3-(2-methoxy-4-methylphenyl)pyrazole
CID 134315657
4-acetyl-6-(5-chloro-2-methoxyphenyl)-2-ethylpyridazin-3-one
CID 82445266
2-(2-methoxyethyl)-6-(4-methoxy-3-methylphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82447663
3-amino-1-ethyl-6-(2-methoxy-5-methylphenyl)pyridin-2-one
CID 82467176
6-(2-methoxy-5-methylphenyl)pyrimidine-4-carbaldehyde
CID 116857701
6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carbothioamide
CID 82444531
6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide
CID 82444532
1-ethyl-3-(2-methoxyphenyl)pyrazol-5-amine
CID 61265898

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-methoxy-5-methylphenyl)-3-oxopyridazine-4-carbaldehyde?
The IUPAC name of 2-ethyl-6-(2-methoxy-5-methylphenyl)-3-oxopyridazine-4-carbaldehyde (CID 82445242) is 2-ethyl-6-(2-methoxy-5-methylphenyl)-3-oxopyridazine-4-carbaldehyde.
What is the SMILES notation for 2-ethyl-6-(2-methoxy-5-methylphenyl)-3-oxopyridazine-4-carbaldehyde?
The canonical SMILES for 2-ethyl-6-(2-methoxy-5-methylphenyl)-3-oxopyridazine-4-carbaldehyde is CCn1nc(-c2cc(C)ccc2OC)cc(C=O)c1=O.
What is the InChIKey of 2-ethyl-6-(2-methoxy-5-methylphenyl)-3-oxopyridazine-4-carbaldehyde?
The InChIKey is QGGOIWRWDKFQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-4-17-15(19)11(9-18)8-13(16-17)12-7-10(2)5-6-14(12)20-3/h5-9H,4H2,1-3H3.
What are the key properties of 2-ethyl-6-(2-methoxy-5-methylphenyl)-3-oxopyridazine-4-carbaldehyde?
2-ethyl-6-(2-methoxy-5-methylphenyl)-3-oxopyridazine-4-carbaldehyde has a molecular weight of 272.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-methoxy-5-methylphenyl)-3-oxopyridazine-4-carbaldehyde is sourced from PubChem (CID 82445242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).