6-(4-ethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde

C14H14N2O3 — CID 82444330

IUPAC6-(4-ethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde
SMILESCCOc1ccc(-c2cc(C=O)c(=O)n(C)n2)cc1
InChIInChI=1S/C14H14N2O3/c1-3-19-12-6-4-10(5-7-12)13-8-11(9-17)14(18)16(2)15-13/h4-9H,3H2,1-2H3
InChIKeyFVEDWLNBCJUFIQ-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.66
Rot. Bonds4

About 6-(4-ethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde

6-(4-ethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde (PubChem CID 82444330) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde
PubChem CID82444330
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name6-(4-ethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde
SMILESCCOc1ccc(-c2cc(C=O)c(=O)n(C)n2)cc1
InChIInChI=1S/C14H14N2O3/c1-3-19-12-6-4-10(5-7-12)13-8-11(9-17)14(18)16(2)15-13/h4-9H,3H2,1-2H3
InChIKeyFVEDWLNBCJUFIQ-UHFFFAOYSA-N
XLogP1.66
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde
CID 82444299
4-(chloromethyl)-6-(4-ethoxyphenyl)-2-methylpyridazin-3-one
CID 82444338
6-(4-ethoxyphenyl)-2-methylpyridazin-3-one
CID 7660164
6-(4-ethoxyphenyl)-2-methyl-4-(methylaminomethyl)pyridazin-3-one
CID 82444331
2-methyl-3-oxo-6-(3-propoxyphenyl)pyridazine-4-carbaldehyde
CID 82444237
4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one
CID 82467559
4-(2-hydroxypropan-2-yl)-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one
CID 82444384
4-acetyl-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one
CID 82444386
3-(4-ethoxyphenyl)-1-phenylpyrazol-5-amine
CID 43336761
2-butyl-6-(4-ethoxyphenyl)-3-oxopyridazine-4-carbonitrile
CID 82447187
6-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxopyridazine-4-carbaldehyde
CID 82447606
7-ethoxy-2-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde
CID 43817922

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde?
The IUPAC name of 6-(4-ethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde (CID 82444330) is 6-(4-ethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde.
What is the SMILES notation for 6-(4-ethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde?
The canonical SMILES for 6-(4-ethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde is CCOc1ccc(-c2cc(C=O)c(=O)n(C)n2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde?
The InChIKey is FVEDWLNBCJUFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-3-19-12-6-4-10(5-7-12)13-8-11(9-17)14(18)16(2)15-13/h4-9H,3H2,1-2H3.
What are the key properties of 6-(4-ethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde?
6-(4-ethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde has a molecular weight of 258.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde is sourced from PubChem (CID 82444330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).