6-(2-methoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbaldehyde

C16H18N2O3 — CID 82447378

IUPAC6-(2-methoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbaldehyde
SMILESCOc1ccccc1-c1cc(C=O)c(=O)n(CC(C)C)n1
InChIInChI=1S/C16H18N2O3/c1-11(2)9-18-16(20)12(10-19)8-14(17-18)13-6-4-5-7-15(13)21-3/h4-8,10-11H,9H2,1-3H3
InChIKeyVNPUCXHGGLAIKN-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.39
Rot. Bonds5

About 6-(2-methoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbaldehyde

6-(2-methoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbaldehyde (PubChem CID 82447378) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbaldehyde.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbaldehyde
PubChem CID82447378
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name6-(2-methoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbaldehyde
SMILESCOc1ccccc1-c1cc(C=O)c(=O)n(CC(C)C)n1
InChIInChI=1S/C16H18N2O3/c1-11(2)9-18-16(20)12(10-19)8-14(17-18)13-6-4-5-7-15(13)21-3/h4-8,10-11H,9H2,1-3H3
InChIKeyVNPUCXHGGLAIKN-UHFFFAOYSA-N
XLogP2.39
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(2-methoxyphenyl)-2-(2-methylpropyl)-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

2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82444965
2-ethyl-6-(2-methoxy-5-methylphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82445242
4-amino-6-(2-ethoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82467618
6-(2-methoxy-5-methylphenyl)-3-oxo-2-propylpyridazine-4-carbaldehyde
CID 82446916
1-[5-amino-3-(2-methoxyphenyl)pyrazol-1-yl]propan-2-ol
CID 112751510
2-[4-methoxy-3-[5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]phenyl]acetic acid
CID 110160779
1-butan-2-yl-6-(2-methoxyphenyl)-2-oxopyridine-3-carbaldehyde
CID 82518930
1-ethyl-3-(2-methoxyphenyl)pyrazol-5-amine
CID 61265898
6-(2-methoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
CID 82519001
4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446787
4-(hydroxymethyl)-2-(2-methoxyethyl)-6-(2-methoxyphenyl)pyridazin-3-one
CID 82447614
4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444106

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbaldehyde?
The IUPAC name of 6-(2-methoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbaldehyde (CID 82447378) is 6-(2-methoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbaldehyde.
What is the SMILES notation for 6-(2-methoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbaldehyde?
The canonical SMILES for 6-(2-methoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbaldehyde is COc1ccccc1-c1cc(C=O)c(=O)n(CC(C)C)n1.
What is the InChIKey of 6-(2-methoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbaldehyde?
The InChIKey is VNPUCXHGGLAIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(2)9-18-16(20)12(10-19)8-14(17-18)13-6-4-5-7-15(13)21-3/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 6-(2-methoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbaldehyde?
6-(2-methoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbaldehyde has a molecular weight of 286.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbaldehyde is sourced from PubChem (CID 82447378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).