6-ethyl-2-[(4-methoxyphenyl)methyl]pyridazine-3,5-dione

C14H16N2O3 — CID 170249460

IUPAC6-ethyl-2-[(4-methoxyphenyl)methyl]pyridazine-3,5-dione
SMILESCCC1=NN(Cc2ccc(OC)cc2)C(=O)CC1=O
InChIInChI=1S/C14H16N2O3/c1-3-12-13(17)8-14(18)16(15-12)9-10-4-6-11(19-2)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKeyOCAJXGWVARYHNT-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.76
Rot. Bonds4

About 6-ethyl-2-[(4-methoxyphenyl)methyl]pyridazine-3,5-dione

6-ethyl-2-[(4-methoxyphenyl)methyl]pyridazine-3,5-dione (PubChem CID 170249460) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-ethyl-2-[(4-methoxyphenyl)methyl]pyridazine-3,5-dione.

Molecular Properties

Compound Name6-ethyl-2-[(4-methoxyphenyl)methyl]pyridazine-3,5-dione
PubChem CID170249460
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name6-ethyl-2-[(4-methoxyphenyl)methyl]pyridazine-3,5-dione
SMILESCCC1=NN(Cc2ccc(OC)cc2)C(=O)CC1=O
InChIInChI=1S/C14H16N2O3/c1-3-12-13(17)8-14(18)16(15-12)9-10-4-6-11(19-2)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKeyOCAJXGWVARYHNT-UHFFFAOYSA-N
XLogP1.76
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-2-[(4-fluorophenyl)methyl]-4H-pyrazol-3-one
CID 55027833
(5S)-6-methoxy-4-[(4-methoxyphenyl)methyl]-5-propan-2-yl-2,5-dihydropyrazin-3-one
CID 16725898
4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 23254565
7-[(4-methoxyphenyl)methyl]-5-phenyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-8-one
CID 54311388
1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one
CID 70726206
5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one
CID 129101346
(5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 124629774
2-[(2R)-1-[(4-methoxyphenyl)methyl]-4-oxoazetidin-2-yl]acetaldehyde
CID 14543427
2-[(4-methoxyphenyl)methyl]pyrazolidin-3-one
CID 105458883
(2S)-3-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6925536
1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711571
1-[(4-fluorophenyl)methyl]-N-[2-(4-methoxyphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55772635

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[(4-methoxyphenyl)methyl]pyridazine-3,5-dione?
The IUPAC name of 6-ethyl-2-[(4-methoxyphenyl)methyl]pyridazine-3,5-dione (CID 170249460) is 6-ethyl-2-[(4-methoxyphenyl)methyl]pyridazine-3,5-dione.
What is the SMILES notation for 6-ethyl-2-[(4-methoxyphenyl)methyl]pyridazine-3,5-dione?
The canonical SMILES for 6-ethyl-2-[(4-methoxyphenyl)methyl]pyridazine-3,5-dione is CCC1=NN(Cc2ccc(OC)cc2)C(=O)CC1=O.
What is the InChIKey of 6-ethyl-2-[(4-methoxyphenyl)methyl]pyridazine-3,5-dione?
The InChIKey is OCAJXGWVARYHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-12-13(17)8-14(18)16(15-12)9-10-4-6-11(19-2)7-5-10/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 6-ethyl-2-[(4-methoxyphenyl)methyl]pyridazine-3,5-dione?
6-ethyl-2-[(4-methoxyphenyl)methyl]pyridazine-3,5-dione has a molecular weight of 260.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[(4-methoxyphenyl)methyl]pyridazine-3,5-dione is sourced from PubChem (CID 170249460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).