2-methyl-3-oxo-6-(3-propoxyphenyl)pyridazine-4-carbaldehyde

C15H16N2O3 — CID 82444237

IUPAC2-methyl-3-oxo-6-(3-propoxyphenyl)pyridazine-4-carbaldehyde
SMILESCCCOc1cccc(-c2cc(C=O)c(=O)n(C)n2)c1
InChIInChI=1S/C15H16N2O3/c1-3-7-20-13-6-4-5-11(8-13)14-9-12(10-18)15(19)17(2)16-14/h4-6,8-10H,3,7H2,1-2H3
InChIKeyPARQEKPGIRJZDW-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.05
Rot. Bonds5

About 2-methyl-3-oxo-6-(3-propoxyphenyl)pyridazine-4-carbaldehyde

2-methyl-3-oxo-6-(3-propoxyphenyl)pyridazine-4-carbaldehyde (PubChem CID 82444237) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-methyl-3-oxo-6-(3-propoxyphenyl)pyridazine-4-carbaldehyde.

Molecular Properties

Compound Name2-methyl-3-oxo-6-(3-propoxyphenyl)pyridazine-4-carbaldehyde
PubChem CID82444237
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-methyl-3-oxo-6-(3-propoxyphenyl)pyridazine-4-carbaldehyde
SMILESCCCOc1cccc(-c2cc(C=O)c(=O)n(C)n2)c1
InChIInChI=1S/C15H16N2O3/c1-3-7-20-13-6-4-5-11(8-13)14-9-12(10-18)15(19)17(2)16-14/h4-6,8-10H,3,7H2,1-2H3
InChIKeyPARQEKPGIRJZDW-UHFFFAOYSA-N
XLogP2.05
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.05
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

4-(chloromethyl)-2-methyl-6-(3-propoxyphenyl)pyridazin-3-one
CID 82444242
4-amino-6-(3-butoxyphenyl)-2-ethylpyridazin-3-one
CID 82467495
(E)-3-[6-oxo-3-(3-propoxyphenyl)-1H-pyridazin-5-yl]prop-2-enoic acid
CID 82445988
4-acetyl-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one
CID 82444386
2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carbonitrile
CID 82444286
4-acetyl-2-methyl-6-[3-(2-methylpropoxy)phenyl]pyridazin-3-one
CID 82444294
4-(2-hydroxypropan-2-yl)-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one
CID 82444384
2-[3-(3-methoxyphenyl)-6-oxo-5-propoxypyridazin-1-yl]-4-morpholin-4-ylbenzaldehyde
CID 89246678
2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
CID 82444253
2-methyl-6-(3-propoxyphenyl)pyridin-3-amine
CID 82467694
3-[6-(3-methoxyphenyl)-2-methyl-3-oxopyridazin-4-yl]propanoic acid
CID 82444203
5-propoxy-2-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
CID 172651292

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-6-(3-propoxyphenyl)pyridazine-4-carbaldehyde?
The IUPAC name of 2-methyl-3-oxo-6-(3-propoxyphenyl)pyridazine-4-carbaldehyde (CID 82444237) is 2-methyl-3-oxo-6-(3-propoxyphenyl)pyridazine-4-carbaldehyde.
What is the SMILES notation for 2-methyl-3-oxo-6-(3-propoxyphenyl)pyridazine-4-carbaldehyde?
The canonical SMILES for 2-methyl-3-oxo-6-(3-propoxyphenyl)pyridazine-4-carbaldehyde is CCCOc1cccc(-c2cc(C=O)c(=O)n(C)n2)c1.
What is the InChIKey of 2-methyl-3-oxo-6-(3-propoxyphenyl)pyridazine-4-carbaldehyde?
The InChIKey is PARQEKPGIRJZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-7-20-13-6-4-5-11(8-13)14-9-12(10-18)15(19)17(2)16-14/h4-6,8-10H,3,7H2,1-2H3.
What are the key properties of 2-methyl-3-oxo-6-(3-propoxyphenyl)pyridazine-4-carbaldehyde?
2-methyl-3-oxo-6-(3-propoxyphenyl)pyridazine-4-carbaldehyde has a molecular weight of 272.30 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-6-(3-propoxyphenyl)pyridazine-4-carbaldehyde is sourced from PubChem (CID 82444237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).