2-methyl-6-(oxiran-2-ylmethoxy)pyridazin-3-one

C8H10N2O3 — CID 71385088

IUPAC2-methyl-6-(oxiran-2-ylmethoxy)pyridazin-3-one
SMILESCn1nc(OCC2CO2)ccc1=O
InChIInChI=1S/C8H10N2O3/c1-10-8(11)3-2-7(9-10)13-5-6-4-12-6/h2-3,6H,4-5H2,1H3
InChIKeyNACYGARANACAEZ-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.44
Rot. Bonds3

About 2-methyl-6-(oxiran-2-ylmethoxy)pyridazin-3-one

2-methyl-6-(oxiran-2-ylmethoxy)pyridazin-3-one (PubChem CID 71385088) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-methyl-6-(oxiran-2-ylmethoxy)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(oxiran-2-ylmethoxy)pyridazin-3-one
PubChem CID71385088
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-methyl-6-(oxiran-2-ylmethoxy)pyridazin-3-one
SMILESCn1nc(OCC2CO2)ccc1=O
InChIInChI=1S/C8H10N2O3/c1-10-8(11)3-2-7(9-10)13-5-6-4-12-6/h2-3,6H,4-5H2,1H3
InChIKeyNACYGARANACAEZ-UHFFFAOYSA-N
XLogP-0.44
TPSA56.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(oxiran-2-ylmethoxy)pyridazin-3-one?
The IUPAC name of 2-methyl-6-(oxiran-2-ylmethoxy)pyridazin-3-one (CID 71385088) is 2-methyl-6-(oxiran-2-ylmethoxy)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(oxiran-2-ylmethoxy)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(oxiran-2-ylmethoxy)pyridazin-3-one is Cn1nc(OCC2CO2)ccc1=O.
What is the InChIKey of 2-methyl-6-(oxiran-2-ylmethoxy)pyridazin-3-one?
The InChIKey is NACYGARANACAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-10-8(11)3-2-7(9-10)13-5-6-4-12-6/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-methyl-6-(oxiran-2-ylmethoxy)pyridazin-3-one?
2-methyl-6-(oxiran-2-ylmethoxy)pyridazin-3-one has a molecular weight of 182.18 g/mol, XLogP of -0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(oxiran-2-ylmethoxy)pyridazin-3-one is sourced from PubChem (CID 71385088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).