6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbaldehyde

C15H16N2O2 — CID 82444815

IUPAC6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbaldehyde
SMILESCCn1nc(-c2ccc(C)cc2C)cc(C=O)c1=O
InChIInChI=1S/C15H16N2O2/c1-4-17-15(19)12(9-18)8-14(16-17)13-6-5-10(2)7-11(13)3/h5-9H,4H2,1-3H3
InChIKeyMTHJDQWLTPMVFR-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.36
Rot. Bonds3

About 6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbaldehyde

6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbaldehyde (PubChem CID 82444815) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbaldehyde.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbaldehyde
PubChem CID82444815
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbaldehyde
SMILESCCn1nc(-c2ccc(C)cc2C)cc(C=O)c1=O
InChIInChI=1S/C15H16N2O2/c1-4-17-15(19)12(9-18)8-14(16-17)13-6-5-10(2)7-11(13)3/h5-9H,4H2,1-3H3
InChIKeyMTHJDQWLTPMVFR-UHFFFAOYSA-N
XLogP2.36
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-6-(2-methoxy-5-methylphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82445242
6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbonitrile
CID 82444814
2-[6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile
CID 82444824
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-propyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82446675
4-(1-aminoethyl)-6-(2,5-dimethylphenyl)-2-ethylpyridazin-3-one
CID 82444883
4-acetyl-2-butyl-6-(2,4-dimethylphenyl)pyridazin-3-one
CID 82447084
4-amino-6-(2,4-dimethylphenyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 82467643
2-butyl-6-(3,4-dimethylphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82447089
2-(2-aminobutyl)-6-(2,4-dimethylphenyl)pyridazin-3-one
CID 82167975
2-(2,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine-6-carbaldehyde
CID 83966611

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbaldehyde?
The IUPAC name of 6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbaldehyde (CID 82444815) is 6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbaldehyde.
What is the SMILES notation for 6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbaldehyde?
The canonical SMILES for 6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbaldehyde is CCn1nc(-c2ccc(C)cc2C)cc(C=O)c1=O.
What is the InChIKey of 6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbaldehyde?
The InChIKey is MTHJDQWLTPMVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-4-17-15(19)12(9-18)8-14(16-17)13-6-5-10(2)7-11(13)3/h5-9H,4H2,1-3H3.
What are the key properties of 6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbaldehyde?
6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbaldehyde has a molecular weight of 256.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)-2-ethyl-3-oxopyridazine-4-carbaldehyde is sourced from PubChem (CID 82444815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).