2-ethyl-4-[(2-methoxyethylamino)methyl]-6-thiophen-2-ylpyridazin-3-one

C14H19N3O2S — CID 82445319

IUPAC2-ethyl-4-[(2-methoxyethylamino)methyl]-6-thiophen-2-ylpyridazin-3-one
SMILESCCn1nc(-c2cccs2)cc(CNCCOC)c1=O
InChIInChI=1S/C14H19N3O2S/c1-3-17-14(18)11(10-15-6-7-19-2)9-12(16-17)13-5-4-8-20-13/h4-5,8-9,15H,3,6-7,10H2,1-2H3
InChIKeyHZQHFFMPRXPPST-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.73
Rot. Bonds7

About 2-ethyl-4-[(2-methoxyethylamino)methyl]-6-thiophen-2-ylpyridazin-3-one

2-ethyl-4-[(2-methoxyethylamino)methyl]-6-thiophen-2-ylpyridazin-3-one (PubChem CID 82445319) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-ethyl-4-[(2-methoxyethylamino)methyl]-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-4-[(2-methoxyethylamino)methyl]-6-thiophen-2-ylpyridazin-3-one
PubChem CID82445319
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-ethyl-4-[(2-methoxyethylamino)methyl]-6-thiophen-2-ylpyridazin-3-one
SMILESCCn1nc(-c2cccs2)cc(CNCCOC)c1=O
InChIInChI=1S/C14H19N3O2S/c1-3-17-14(18)11(10-15-6-7-19-2)9-12(16-17)13-5-4-8-20-13/h4-5,8-9,15H,3,6-7,10H2,1-2H3
InChIKeyHZQHFFMPRXPPST-UHFFFAOYSA-N
XLogP1.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one
CID 82446954
2-ethyl-4-(2-hydroxypropan-2-yl)-6-thiophen-2-ylpyridazin-3-one
CID 82445328
4-(2-aminopropan-2-yl)-2-(2-methoxyethyl)-6-thiophen-2-ylpyridazin-3-one
CID 82447694
5-(butylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one
CID 82446488
3-(ethylaminomethyl)-1-(2-methoxyethyl)-6-thiophen-2-ylpyridin-2-one
CID 82516590
2-(2-methoxyethyl)-6-methyl-4-(propylaminomethyl)pyridazin-3-one
CID 82442981
2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443309
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenylacetamide
CID 121169714
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 8560814
6-(3,4-dimethylphenyl)-4-[(2-methoxyethylamino)methyl]-2-methylpyridazin-3-one
CID 82443932
2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 82515813
5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one
CID 82445389

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(2-methoxyethylamino)methyl]-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 2-ethyl-4-[(2-methoxyethylamino)methyl]-6-thiophen-2-ylpyridazin-3-one (CID 82445319) is 2-ethyl-4-[(2-methoxyethylamino)methyl]-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 2-ethyl-4-[(2-methoxyethylamino)methyl]-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 2-ethyl-4-[(2-methoxyethylamino)methyl]-6-thiophen-2-ylpyridazin-3-one is CCn1nc(-c2cccs2)cc(CNCCOC)c1=O.
What is the InChIKey of 2-ethyl-4-[(2-methoxyethylamino)methyl]-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is HZQHFFMPRXPPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-17-14(18)11(10-15-6-7-19-2)9-12(16-17)13-5-4-8-20-13/h4-5,8-9,15H,3,6-7,10H2,1-2H3.
What are the key properties of 2-ethyl-4-[(2-methoxyethylamino)methyl]-6-thiophen-2-ylpyridazin-3-one?
2-ethyl-4-[(2-methoxyethylamino)methyl]-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 293.39 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(2-methoxyethylamino)methyl]-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 82445319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).