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

C13H12N2O3 — CID 82444299

IUPAC6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde
SMILESCOc1ccc(-c2cc(C=O)c(=O)n(C)n2)cc1
InChIInChI=1S/C13H12N2O3/c1-15-13(17)10(8-16)7-12(14-15)9-3-5-11(18-2)6-4-9/h3-8H,1-2H3
InChIKeyLIXPNQJNTAZSJN-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.27
Rot. Bonds3

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

6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde (PubChem CID 82444299) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde
PubChem CID82444299
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde
SMILESCOc1ccc(-c2cc(C=O)c(=O)n(C)n2)cc1
InChIInChI=1S/C13H12N2O3/c1-15-13(17)10(8-16)7-12(14-15)9-3-5-11(18-2)6-4-9/h3-8H,1-2H3
InChIKeyLIXPNQJNTAZSJN-UHFFFAOYSA-N
XLogP1.27
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.27
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-ethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde
CID 82444330
4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444297
6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile
CID 82444298
5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole
CID 84711805
6-(4-methoxyphenyl)-2-methyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82444306
2-methyl-3-oxo-6-(3-propoxyphenyl)pyridazine-4-carbaldehyde
CID 82444237
6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide
CID 82444310
4-[(butan-2-ylamino)methyl]-6-(4-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444307
6-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxopyridazine-4-carbaldehyde
CID 82447606
3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42759669
4-bromo-5-(4-methoxyphenyl)-2-methylpyrazole-3-carbaldehyde
CID 88860665
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde?
The IUPAC name of 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde (CID 82444299) is 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde?
The canonical SMILES for 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde is COc1ccc(-c2cc(C=O)c(=O)n(C)n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde?
The InChIKey is LIXPNQJNTAZSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-15-13(17)10(8-16)7-12(14-15)9-3-5-11(18-2)6-4-9/h3-8H,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde?
6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde has a molecular weight of 244.25 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde is sourced from PubChem (CID 82444299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).