2-[2-(1,3-dioxan-2-yl)ethyl]-6-methylpyridazin-3-one

C11H16N2O3 — CID 66474746

IUPAC2-[2-(1,3-dioxan-2-yl)ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCC2OCCCO2)n1
InChIInChI=1S/C11H16N2O3/c1-9-3-4-10(14)13(12-9)6-5-11-15-7-2-8-16-11/h3-4,11H,2,5-8H2,1H3
InChIKeyUWMLUBDBGRHOMF-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.70
Rot. Bonds3

About 2-[2-(1,3-dioxan-2-yl)ethyl]-6-methylpyridazin-3-one

2-[2-(1,3-dioxan-2-yl)ethyl]-6-methylpyridazin-3-one (PubChem CID 66474746) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[2-(1,3-dioxan-2-yl)ethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(1,3-dioxan-2-yl)ethyl]-6-methylpyridazin-3-one
PubChem CID66474746
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[2-(1,3-dioxan-2-yl)ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCC2OCCCO2)n1
InChIInChI=1S/C11H16N2O3/c1-9-3-4-10(14)13(12-9)6-5-11-15-7-2-8-16-11/h3-4,11H,2,5-8H2,1H3
InChIKeyUWMLUBDBGRHOMF-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxan-2-yl)ethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-(1,3-dioxan-2-yl)ethyl]-6-methylpyridazin-3-one (CID 66474746) is 2-[2-(1,3-dioxan-2-yl)ethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(1,3-dioxan-2-yl)ethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(1,3-dioxan-2-yl)ethyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CCC2OCCCO2)n1.
What is the InChIKey of 2-[2-(1,3-dioxan-2-yl)ethyl]-6-methylpyridazin-3-one?
The InChIKey is UWMLUBDBGRHOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-9-3-4-10(14)13(12-9)6-5-11-15-7-2-8-16-11/h3-4,11H,2,5-8H2,1H3.
What are the key properties of 2-[2-(1,3-dioxan-2-yl)ethyl]-6-methylpyridazin-3-one?
2-[2-(1,3-dioxan-2-yl)ethyl]-6-methylpyridazin-3-one has a molecular weight of 224.26 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxan-2-yl)ethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 66474746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).