2-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione

C13H12N2O4 — CID 62019528

IUPAC2-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCOc1ccc(C(=O)Cn2[nH]c(=O)ccc2=O)cc1
InChIInChI=1S/C13H12N2O4/c1-19-10-4-2-9(3-5-10)11(16)8-15-13(18)7-6-12(17)14-15/h2-7H,8H2,1H3,(H,14,17)
InChIKeyKEENISBZRJARFT-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.43
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione

2-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 62019528) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID62019528
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCOc1ccc(C(=O)Cn2[nH]c(=O)ccc2=O)cc1
InChIInChI=1S/C13H12N2O4/c1-19-10-4-2-9(3-5-10)11(16)8-15-13(18)7-6-12(17)14-15/h2-7H,8H2,1H3,(H,14,17)
InChIKeyKEENISBZRJARFT-UHFFFAOYSA-N
XLogP0.43
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 62019528) is 2-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione is COc1ccc(C(=O)Cn2[nH]c(=O)ccc2=O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is KEENISBZRJARFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-19-10-4-2-9(3-5-10)11(16)8-15-13(18)7-6-12(17)14-15/h2-7H,8H2,1H3,(H,14,17).
What are the key properties of 2-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 260.25 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 62019528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).