2-methyl-6-(oxetan-3-yloxy)pyridazin-3-one

C8H10N2O3 — CID 126954660

IUPAC2-methyl-6-(oxetan-3-yloxy)pyridazin-3-one
SMILESCn1nc(OC2COC2)ccc1=O
InChIInChI=1S/C8H10N2O3/c1-10-8(11)3-2-7(9-10)13-6-4-12-5-6/h2-3,6H,4-5H2,1H3
InChIKeyZMZMPSPJBLLXIZ-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.44
Rot. Bonds2

About 2-methyl-6-(oxetan-3-yloxy)pyridazin-3-one

2-methyl-6-(oxetan-3-yloxy)pyridazin-3-one (PubChem CID 126954660) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-methyl-6-(oxetan-3-yloxy)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(oxetan-3-yloxy)pyridazin-3-one
PubChem CID126954660
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-methyl-6-(oxetan-3-yloxy)pyridazin-3-one
SMILESCn1nc(OC2COC2)ccc1=O
InChIInChI=1S/C8H10N2O3/c1-10-8(11)3-2-7(9-10)13-6-4-12-5-6/h2-3,6H,4-5H2,1H3
InChIKeyZMZMPSPJBLLXIZ-UHFFFAOYSA-N
XLogP-0.44
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-3-methoxy-6-pyridazone
CID 96429
2-methyl-6-propoxypyridazin-3(2H)-one
CID 5243598
2-Methyl-6-[(2-methylpropan-2-yl)oxy]pyridazin-3-one
CID 171630492
2-Methyl-6-(2-methylpropoxy)pyridazin-3-one
CID 33730565
2-Methyl-6-[(oxiran-2-yl)methoxy]pyridazin-3(2H)-one
CID 71385088
2-Methyl-6-(prop-2-en-1-yloxy)-2,3-dihydropyridazin-3-one
CID 126954647
6-Cyclobutoxy-2-methyl-2,3-dihydropyridazin-3-one
CID 126954648
6-(Cyclopentyloxy)-2-methyl-2,3-dihydropyridazin-3-one
CID 126954650
2-Methyl-6-(oxolan-3-yloxy)-2,3-dihydropyridazin-3-one
CID 126954652
6-(But-2-yn-1-yloxy)-2-methyl-2,3-dihydropyridazin-3-one
CID 126954664
6-Methoxy-2-(methoxymethyl)pyridazin-3-one
CID 131153895

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(oxetan-3-yloxy)pyridazin-3-one?
The IUPAC name of 2-methyl-6-(oxetan-3-yloxy)pyridazin-3-one (CID 126954660) is 2-methyl-6-(oxetan-3-yloxy)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(oxetan-3-yloxy)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(oxetan-3-yloxy)pyridazin-3-one is Cn1nc(OC2COC2)ccc1=O.
What is the InChIKey of 2-methyl-6-(oxetan-3-yloxy)pyridazin-3-one?
The InChIKey is ZMZMPSPJBLLXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-10-8(11)3-2-7(9-10)13-6-4-12-5-6/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-methyl-6-(oxetan-3-yloxy)pyridazin-3-one?
2-methyl-6-(oxetan-3-yloxy)pyridazin-3-one has a molecular weight of 182.18 g/mol, XLogP of -0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(oxetan-3-yloxy)pyridazin-3-one is sourced from PubChem (CID 126954660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).