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

C11H16N2O2 — CID 126857286

IUPAC6-methyl-2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCOCC2)n1
InChIInChI=1S/C11H16N2O2/c1-9-2-3-11(14)13(12-9)8-10-4-6-15-7-5-10/h2-3,10H,4-8H2,1H3
InChIKeyVAIMWDJDUNPAHO-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.98
Rot. Bonds2

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

6-methyl-2-(oxan-4-ylmethyl)pyridazin-3-one (PubChem CID 126857286) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 6-methyl-2-(oxan-4-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-(oxan-4-ylmethyl)pyridazin-3-one
PubChem CID126857286
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name6-methyl-2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCOCC2)n1
InChIInChI=1S/C11H16N2O2/c1-9-2-3-11(14)13(12-9)8-10-4-6-15-7-5-10/h2-3,10H,4-8H2,1H3
InChIKeyVAIMWDJDUNPAHO-UHFFFAOYSA-N
XLogP0.98
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(oxan-4-ylmethyl)pyridazin-3-one?
The IUPAC name of 6-methyl-2-(oxan-4-ylmethyl)pyridazin-3-one (CID 126857286) is 6-methyl-2-(oxan-4-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-(oxan-4-ylmethyl)pyridazin-3-one?
The canonical SMILES for 6-methyl-2-(oxan-4-ylmethyl)pyridazin-3-one is Cc1ccc(=O)n(CC2CCOCC2)n1.
What is the InChIKey of 6-methyl-2-(oxan-4-ylmethyl)pyridazin-3-one?
The InChIKey is VAIMWDJDUNPAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9-2-3-11(14)13(12-9)8-10-4-6-15-7-5-10/h2-3,10H,4-8H2,1H3.
What are the key properties of 6-methyl-2-(oxan-4-ylmethyl)pyridazin-3-one?
6-methyl-2-(oxan-4-ylmethyl)pyridazin-3-one has a molecular weight of 208.26 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(oxan-4-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 126857286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).