4-(2-methoxyethoxy)-2-methylpyridazin-3-one

C8H12N2O3 — CID 144580843

IUPAC4-(2-methoxyethoxy)-2-methylpyridazin-3-one
SMILESCOCCOc1ccnn(C)c1=O
InChIInChI=1S/C8H12N2O3/c1-10-8(11)7(3-4-9-10)13-6-5-12-2/h3-4H,5-6H2,1-2H3
InChIKeyIKSCWVAHXURCQV-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.19
Rot. Bonds4

About 4-(2-methoxyethoxy)-2-methylpyridazin-3-one

4-(2-methoxyethoxy)-2-methylpyridazin-3-one (PubChem CID 144580843) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-2-methylpyridazin-3-one
PubChem CID144580843
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name4-(2-methoxyethoxy)-2-methylpyridazin-3-one
SMILESCOCCOc1ccnn(C)c1=O
InChIInChI=1S/C8H12N2O3/c1-10-8(11)7(3-4-9-10)13-6-5-12-2/h3-4H,5-6H2,1-2H3
InChIKeyIKSCWVAHXURCQV-UHFFFAOYSA-N
XLogP-0.19
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Ethoxy-2-methylpyridazin-3-one
CID 12464287
3(2H)-Pyridazinone, 4,5-diethoxy-2-methyl-
CID 767886
4-(2-Hydroxy-2-methylpropoxy)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 141026635
4-Methoxy-2-methyl-3(2h)-pyridazinone
CID 13103635
(2-Methyl-3-oxo-2,3-dihydro-pyridazin-4-yloxy)-acetic acid
CID 66957914
5-Chloro-4-(2-methoxyethoxy)-2-methylpyridazin-3-one
CID 90040676
2-[2-(2-Methoxyethoxy)ethyl]pyridazin-3-one
CID 141119119
2-(2-Methyl-3-oxopyridazin-4-yl)oxyacetaldehyde
CID 144132326
4-Methoxy-2-propan-2-ylpyridazin-3-one
CID 171100477
2-Methyl-4-(2-trimethylsilylethoxy)pyridazin-3-one
CID 175932260
2-Methyl-4-propoxy-5-sulfanylpyridazin-3-one
CID 10878170
2-Methyl-4,5-dipropoxypyridazin-3-one
CID 12351840

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-2-methylpyridazin-3-one?
The IUPAC name of 4-(2-methoxyethoxy)-2-methylpyridazin-3-one (CID 144580843) is 4-(2-methoxyethoxy)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-(2-methoxyethoxy)-2-methylpyridazin-3-one?
The canonical SMILES for 4-(2-methoxyethoxy)-2-methylpyridazin-3-one is COCCOc1ccnn(C)c1=O.
What is the InChIKey of 4-(2-methoxyethoxy)-2-methylpyridazin-3-one?
The InChIKey is IKSCWVAHXURCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-10-8(11)7(3-4-9-10)13-6-5-12-2/h3-4H,5-6H2,1-2H3.
What are the key properties of 4-(2-methoxyethoxy)-2-methylpyridazin-3-one?
4-(2-methoxyethoxy)-2-methylpyridazin-3-one has a molecular weight of 184.19 g/mol, XLogP of -0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-2-methylpyridazin-3-one is sourced from PubChem (CID 144580843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).