2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one

C12H21N3O2 — CID 82442981

IUPAC2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one
SMILESCCCNCc1cc(C)nn(CCOC)c1=O
InChIInChI=1S/C12H21N3O2/c1-4-5-13-9-11-8-10(2)14-15(12(11)16)6-7-17-3/h8,13H,4-7,9H2,1-3H3
InChIKeyHNHBJKOCXWUHKO-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.70
Rot. Bonds7

About 2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one

2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one (PubChem CID 82442981) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one
PubChem CID82442981
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one
SMILESCCCNCc1cc(C)nn(CCOC)c1=O
InChIInChI=1S/C12H21N3O2/c1-4-5-13-9-11-8-10(2)14-15(12(11)16)6-7-17-3/h8,13H,4-7,9H2,1-3H3
InChIKeyHNHBJKOCXWUHKO-UHFFFAOYSA-N
XLogP0.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one
CID 82442924
6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one
CID 82442863
4-(hydroxymethyl)-2-(2-methoxyethyl)-6-methylpyridazin-3-one
CID 82442975
2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443309
2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetyl chloride
CID 82443029
2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetonitrile
CID 82442992
6-methyl-4-[(2-methylpropylamino)methyl]-2-propylpyridazin-3-one
CID 82442791
2-ethyl-6-propan-2-yl-4-(propylaminomethyl)pyridazin-3-one
CID 82443197
2-(2-methoxyethyl)-6-methyl-3-oxopyridazine-4-carbonyl chloride
CID 82443028
2-(2-methoxyethyl)-5-methylpyrazole-3-carbaldehyde
CID 91803752
2-ethyl-4-[(2-methoxyethylamino)methyl]-6-thiophen-2-ylpyridazin-3-one
CID 82445319
2-butyl-4-[(cyclopentylamino)methyl]-6-methylpyridazin-3-one
CID 82442927

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one?
The IUPAC name of 2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one (CID 82442981) is 2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one is CCCNCc1cc(C)nn(CCOC)c1=O.
What is the InChIKey of 2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one?
The InChIKey is HNHBJKOCXWUHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-5-13-9-11-8-10(2)14-15(12(11)16)6-7-17-3/h8,13H,4-7,9H2,1-3H3.
What are the key properties of 2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one?
2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one has a molecular weight of 239.32 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one is sourced from PubChem (CID 82442981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).