6-(oxan-4-yl)pyridazine-3,4-dione

C9H10N2O3 — CID 138752885

IUPAC6-(oxan-4-yl)pyridazine-3,4-dione
SMILESO=C1C=C(C2CCOCC2)N=NC1=O
InChIInChI=1S/C9H10N2O3/c12-8-5-7(10-11-9(8)13)6-1-3-14-4-2-6/h5-6H,1-4H2
InChIKeyBJKZWXPSQDODSF-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.86
Rot. Bonds1

About 6-(oxan-4-yl)pyridazine-3,4-dione

6-(oxan-4-yl)pyridazine-3,4-dione (PubChem CID 138752885) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 6-(oxan-4-yl)pyridazine-3,4-dione.

Molecular Properties

Compound Name6-(oxan-4-yl)pyridazine-3,4-dione
PubChem CID138752885
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name6-(oxan-4-yl)pyridazine-3,4-dione
SMILESO=C1C=C(C2CCOCC2)N=NC1=O
InChIInChI=1S/C9H10N2O3/c12-8-5-7(10-11-9(8)13)6-1-3-14-4-2-6/h5-6H,1-4H2
InChIKeyBJKZWXPSQDODSF-UHFFFAOYSA-N
XLogP0.86
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(oxan-4-yl)pyridazine-3,4-dione?
The IUPAC name of 6-(oxan-4-yl)pyridazine-3,4-dione (CID 138752885) is 6-(oxan-4-yl)pyridazine-3,4-dione.
What is the SMILES notation for 6-(oxan-4-yl)pyridazine-3,4-dione?
The canonical SMILES for 6-(oxan-4-yl)pyridazine-3,4-dione is O=C1C=C(C2CCOCC2)N=NC1=O.
What is the InChIKey of 6-(oxan-4-yl)pyridazine-3,4-dione?
The InChIKey is BJKZWXPSQDODSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-8-5-7(10-11-9(8)13)6-1-3-14-4-2-6/h5-6H,1-4H2.
What are the key properties of 6-(oxan-4-yl)pyridazine-3,4-dione?
6-(oxan-4-yl)pyridazine-3,4-dione has a molecular weight of 194.19 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-4-yl)pyridazine-3,4-dione is sourced from PubChem (CID 138752885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).