6-[2-(oxan-4-yl)ethyl]-1,2-dihydropyridazine-3,4-dione

C11H16N2O3 — CID 71270291

IUPAC6-[2-(oxan-4-yl)ethyl]-1,2-dihydropyridazine-3,4-dione
SMILESO=c1cc(CCC2CCOCC2)[nH][nH]c1=O
InChIInChI=1S/C11H16N2O3/c14-10-7-9(12-13-11(10)15)2-1-8-3-5-16-6-4-8/h7-8H,1-6H2,(H,12,14)(H,13,15)
InChIKeyPOONXLSXLZKJPU-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.42
Rot. Bonds3

About 6-[2-(oxan-4-yl)ethyl]-1,2-dihydropyridazine-3,4-dione

6-[2-(oxan-4-yl)ethyl]-1,2-dihydropyridazine-3,4-dione (PubChem CID 71270291) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-[2-(oxan-4-yl)ethyl]-1,2-dihydropyridazine-3,4-dione.

Molecular Properties

Compound Name6-[2-(oxan-4-yl)ethyl]-1,2-dihydropyridazine-3,4-dione
PubChem CID71270291
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name6-[2-(oxan-4-yl)ethyl]-1,2-dihydropyridazine-3,4-dione
SMILESO=c1cc(CCC2CCOCC2)[nH][nH]c1=O
InChIInChI=1S/C11H16N2O3/c14-10-7-9(12-13-11(10)15)2-1-8-3-5-16-6-4-8/h7-8H,1-6H2,(H,12,14)(H,13,15)
InChIKeyPOONXLSXLZKJPU-UHFFFAOYSA-N
XLogP0.42
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(oxan-4-yl)ethyl]-1,2-dihydropyridazine-3,4-dione?
The IUPAC name of 6-[2-(oxan-4-yl)ethyl]-1,2-dihydropyridazine-3,4-dione (CID 71270291) is 6-[2-(oxan-4-yl)ethyl]-1,2-dihydropyridazine-3,4-dione.
What is the SMILES notation for 6-[2-(oxan-4-yl)ethyl]-1,2-dihydropyridazine-3,4-dione?
The canonical SMILES for 6-[2-(oxan-4-yl)ethyl]-1,2-dihydropyridazine-3,4-dione is O=c1cc(CCC2CCOCC2)[nH][nH]c1=O.
What is the InChIKey of 6-[2-(oxan-4-yl)ethyl]-1,2-dihydropyridazine-3,4-dione?
The InChIKey is POONXLSXLZKJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c14-10-7-9(12-13-11(10)15)2-1-8-3-5-16-6-4-8/h7-8H,1-6H2,(H,12,14)(H,13,15).
What are the key properties of 6-[2-(oxan-4-yl)ethyl]-1,2-dihydropyridazine-3,4-dione?
6-[2-(oxan-4-yl)ethyl]-1,2-dihydropyridazine-3,4-dione has a molecular weight of 224.26 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(oxan-4-yl)ethyl]-1,2-dihydropyridazine-3,4-dione is sourced from PubChem (CID 71270291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).