2-[2-(3,4-dimethoxyphenyl)acetyl]-4-methyl-1H-pyridazine-3,6-dione

C15H16N2O5 — CID 670960

IUPAC2-[2-(3,4-dimethoxyphenyl)acetyl]-4-methyl-1H-pyridazine-3,6-dione
SMILESCOc1ccc(CC(=O)n2[nH]c(=O)cc(C)c2=O)cc1OC
InChIInChI=1S/C15H16N2O5/c1-9-6-13(18)16-17(15(9)20)14(19)8-10-4-5-11(21-2)12(7-10)22-3/h4-7H,8H2,1-3H3,(H,16,18)
InChIKeyRDKXSXPYXYESQS-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.75
Rot. Bonds4

About 2-[2-(3,4-dimethoxyphenyl)acetyl]-4-methyl-1H-pyridazine-3,6-dione

2-[2-(3,4-dimethoxyphenyl)acetyl]-4-methyl-1H-pyridazine-3,6-dione (PubChem CID 670960) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)acetyl]-4-methyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)acetyl]-4-methyl-1H-pyridazine-3,6-dione
PubChem CID670960
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name2-[2-(3,4-dimethoxyphenyl)acetyl]-4-methyl-1H-pyridazine-3,6-dione
SMILESCOc1ccc(CC(=O)n2[nH]c(=O)cc(C)c2=O)cc1OC
InChIInChI=1S/C15H16N2O5/c1-9-6-13(18)16-17(15(9)20)14(19)8-10-4-5-11(21-2)12(7-10)22-3/h4-7H,8H2,1-3H3,(H,16,18)
InChIKeyRDKXSXPYXYESQS-UHFFFAOYSA-N
XLogP0.75
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)acetyl]-4-methyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)acetyl]-4-methyl-1H-pyridazine-3,6-dione (CID 670960) is 2-[2-(3,4-dimethoxyphenyl)acetyl]-4-methyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)acetyl]-4-methyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)acetyl]-4-methyl-1H-pyridazine-3,6-dione is COc1ccc(CC(=O)n2[nH]c(=O)cc(C)c2=O)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)acetyl]-4-methyl-1H-pyridazine-3,6-dione?
The InChIKey is RDKXSXPYXYESQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-9-6-13(18)16-17(15(9)20)14(19)8-10-4-5-11(21-2)12(7-10)22-3/h4-7H,8H2,1-3H3,(H,16,18).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)acetyl]-4-methyl-1H-pyridazine-3,6-dione?
2-[2-(3,4-dimethoxyphenyl)acetyl]-4-methyl-1H-pyridazine-3,6-dione has a molecular weight of 304.30 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)acetyl]-4-methyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 670960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).