6-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one

C11H16N2O3 — CID 86818619

IUPAC6-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESCOc1ccc(=O)n(CC2CCOCC2)n1
InChIInChI=1S/C11H16N2O3/c1-15-10-2-3-11(14)13(12-10)8-9-4-6-16-7-5-9/h2-3,9H,4-8H2,1H3
InChIKeySQUADHCMLSSEQC-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.68
Rot. Bonds3

About 6-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one

6-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one (PubChem CID 86818619) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one
PubChem CID86818619
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name6-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESCOc1ccc(=O)n(CC2CCOCC2)n1
InChIInChI=1S/C11H16N2O3/c1-15-10-2-3-11(14)13(12-10)8-9-4-6-16-7-5-9/h2-3,9H,4-8H2,1H3
InChIKeySQUADHCMLSSEQC-UHFFFAOYSA-N
XLogP0.68
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one?
The IUPAC name of 6-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one (CID 86818619) is 6-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one is COc1ccc(=O)n(CC2CCOCC2)n1.
What is the InChIKey of 6-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one?
The InChIKey is SQUADHCMLSSEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-15-10-2-3-11(14)13(12-10)8-9-4-6-16-7-5-9/h2-3,9H,4-8H2,1H3.
What are the key properties of 6-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one?
6-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one has a molecular weight of 224.26 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(oxan-4-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 86818619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).