3-(4-ethoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one

C11H12N4O3 — CID 891080

IUPAC3-(4-ethoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one
SMILESCCOc1cc(C)nc(Oc2ccc(=O)[nH]n2)n1
InChIInChI=1S/C11H12N4O3/c1-3-17-10-6-7(2)12-11(13-10)18-9-5-4-8(16)14-15-9/h4-6H,3H2,1-2H3,(H,14,16)
InChIKeyUUDFZHGYDLBJOE-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.06
Rot. Bonds4

About 3-(4-ethoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one

3-(4-ethoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one (PubChem CID 891080) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-(4-ethoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-ethoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one
PubChem CID891080
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name3-(4-ethoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one
SMILESCCOc1cc(C)nc(Oc2ccc(=O)[nH]n2)n1
InChIInChI=1S/C11H12N4O3/c1-3-17-10-6-7(2)12-11(13-10)18-9-5-4-8(16)14-15-9/h4-6H,3H2,1-2H3,(H,14,16)
InChIKeyUUDFZHGYDLBJOE-UHFFFAOYSA-N
XLogP1.06
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one?
The IUPAC name of 3-(4-ethoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one (CID 891080) is 3-(4-ethoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-ethoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-ethoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one is CCOc1cc(C)nc(Oc2ccc(=O)[nH]n2)n1.
What is the InChIKey of 3-(4-ethoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one?
The InChIKey is UUDFZHGYDLBJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-3-17-10-6-7(2)12-11(13-10)18-9-5-4-8(16)14-15-9/h4-6H,3H2,1-2H3,(H,14,16).
What are the key properties of 3-(4-ethoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one?
3-(4-ethoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one has a molecular weight of 248.24 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-6-methylpyrimidin-2-yl)oxy-1H-pyridazin-6-one is sourced from PubChem (CID 891080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).