6-methoxy-2-[[(2S)-oxiran-2-yl]methyl]pyridazin-3-one

C8H10N2O3 — CID 130493199

IUPAC6-methoxy-2-[[(2S)-oxiran-2-yl]methyl]pyridazin-3-one
SMILESCOc1ccc(=O)n(C[C@H]2CO2)n1
InChIInChI=1S/C8H10N2O3/c1-12-7-2-3-8(11)10(9-7)4-6-5-13-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1
InChIKeyUGXMAQWOZNGPCG-LURJTMIESA-N
MW182.18 g/mol
LogP-0.35
Rot. Bonds3

About 6-methoxy-2-[[(2S)-oxiran-2-yl]methyl]pyridazin-3-one

6-methoxy-2-[[(2S)-oxiran-2-yl]methyl]pyridazin-3-one (PubChem CID 130493199) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 6-methoxy-2-[[(2S)-oxiran-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-[[(2S)-oxiran-2-yl]methyl]pyridazin-3-one
PubChem CID130493199
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name6-methoxy-2-[[(2S)-oxiran-2-yl]methyl]pyridazin-3-one
SMILESCOc1ccc(=O)n(C[C@H]2CO2)n1
InChIInChI=1S/C8H10N2O3/c1-12-7-2-3-8(11)10(9-7)4-6-5-13-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1
InChIKeyUGXMAQWOZNGPCG-LURJTMIESA-N
XLogP-0.35
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 ≤ 5-0.35
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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Related Compounds

2-(3-Fluoro-2-hydroxypropyl)-6-methoxy-2,3-dihydropyridazin-3-one
CID 165786767
2-(Oxiran-2-ylmethyl)pyridazin-3-one
CID 62849071
6-Methoxy-2-propylpyridazin-3-one
CID 131085900
3(2H)-Pyridazinone, 6-[2-(diethylamino)ethoxy]-2-methyl-
CID 12015112
6-Methyl-2-(oxiran-2-ylmethyl)pyridazin-3-one
CID 62923562
2-(4-Amino-3-ethoxybutyl)-6-methoxypyridazin-3-one
CID 105061521
2-(3-Amino-2-ethoxypropyl)-6-methoxypyridazin-3-one
CID 105061525
6-Methoxy-2-(oxiran-2-ylmethyl)pyridazin-3-one
CID 105061742
2-(2,3-Dihydroxypropyl)-6-methoxypyridazin-3-one
CID 105061939
2-(2-Hydroxypropyl)-6-methoxypyridazin-3-one
CID 105061942
2-(2-Hydroxybutyl)-6-methoxypyridazin-3-one
CID 105061944
2-(2-Hydroxy-3-methoxypropyl)-6-methoxypyridazin-3-one
CID 105061946

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[[(2S)-oxiran-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-methoxy-2-[[(2S)-oxiran-2-yl]methyl]pyridazin-3-one (CID 130493199) is 6-methoxy-2-[[(2S)-oxiran-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-[[(2S)-oxiran-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-[[(2S)-oxiran-2-yl]methyl]pyridazin-3-one is COc1ccc(=O)n(C[C@H]2CO2)n1.
What is the InChIKey of 6-methoxy-2-[[(2S)-oxiran-2-yl]methyl]pyridazin-3-one?
The InChIKey is UGXMAQWOZNGPCG-LURJTMIESA-N. The full InChI is InChI=1S/C8H10N2O3/c1-12-7-2-3-8(11)10(9-7)4-6-5-13-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1.
What are the key properties of 6-methoxy-2-[[(2S)-oxiran-2-yl]methyl]pyridazin-3-one?
6-methoxy-2-[[(2S)-oxiran-2-yl]methyl]pyridazin-3-one has a molecular weight of 182.18 g/mol, XLogP of -0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[[(2S)-oxiran-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 130493199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).