2-(3,4-dimethoxyphenyl)-6-methyl-3-oxopyridazine-4-carbaldehyde

C14H14N2O4 — CID 174927014

IUPAC2-(3,4-dimethoxyphenyl)-6-methyl-3-oxopyridazine-4-carbaldehyde
SMILESCOc1ccc(-n2nc(C)cc(C=O)c2=O)cc1OC
InChIInChI=1S/C14H14N2O4/c1-9-6-10(8-17)14(18)16(15-9)11-4-5-12(19-2)13(7-11)20-3/h4-8H,1-3H3
InChIKeySBUWXSRLPWFAJO-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.37
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-6-methyl-3-oxopyridazine-4-carbaldehyde

2-(3,4-dimethoxyphenyl)-6-methyl-3-oxopyridazine-4-carbaldehyde (PubChem CID 174927014) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6-methyl-3-oxopyridazine-4-carbaldehyde.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6-methyl-3-oxopyridazine-4-carbaldehyde
PubChem CID174927014
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-(3,4-dimethoxyphenyl)-6-methyl-3-oxopyridazine-4-carbaldehyde
SMILESCOc1ccc(-n2nc(C)cc(C=O)c2=O)cc1OC
InChIInChI=1S/C14H14N2O4/c1-9-6-10(8-17)14(18)16(15-9)11-4-5-12(19-2)13(7-11)20-3/h4-8H,1-3H3
InChIKeySBUWXSRLPWFAJO-UHFFFAOYSA-N
XLogP1.37
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-6-methyl-3-oxopyridazine-4-carbaldehyde?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6-methyl-3-oxopyridazine-4-carbaldehyde (CID 174927014) is 2-(3,4-dimethoxyphenyl)-6-methyl-3-oxopyridazine-4-carbaldehyde.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6-methyl-3-oxopyridazine-4-carbaldehyde?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6-methyl-3-oxopyridazine-4-carbaldehyde is COc1ccc(-n2nc(C)cc(C=O)c2=O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6-methyl-3-oxopyridazine-4-carbaldehyde?
The InChIKey is SBUWXSRLPWFAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-6-10(8-17)14(18)16(15-9)11-4-5-12(19-2)13(7-11)20-3/h4-8H,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6-methyl-3-oxopyridazine-4-carbaldehyde?
2-(3,4-dimethoxyphenyl)-6-methyl-3-oxopyridazine-4-carbaldehyde has a molecular weight of 274.28 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6-methyl-3-oxopyridazine-4-carbaldehyde is sourced from PubChem (CID 174927014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).