5-(2-aminoethoxy)-2-(2-thiophen-2-ylethyl)pyridazin-3-one

C12H15N3O2S — CID 103222731

IUPAC5-(2-aminoethoxy)-2-(2-thiophen-2-ylethyl)pyridazin-3-one
SMILESNCCOc1cnn(CCc2cccs2)c(=O)c1
InChIInChI=1S/C12H15N3O2S/c13-4-6-17-10-8-12(16)15(14-9-10)5-3-11-2-1-7-18-11/h1-2,7-9H,3-6,13H2
InChIKeyQDIPESNTCQYCQD-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.88
Rot. Bonds6

About 5-(2-aminoethoxy)-2-(2-thiophen-2-ylethyl)pyridazin-3-one

5-(2-aminoethoxy)-2-(2-thiophen-2-ylethyl)pyridazin-3-one (PubChem CID 103222731) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-(2-thiophen-2-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-(2-thiophen-2-ylethyl)pyridazin-3-one
PubChem CID103222731
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name5-(2-aminoethoxy)-2-(2-thiophen-2-ylethyl)pyridazin-3-one
SMILESNCCOc1cnn(CCc2cccs2)c(=O)c1
InChIInChI=1S/C12H15N3O2S/c13-4-6-17-10-8-12(16)15(14-9-10)5-3-11-2-1-7-18-11/h1-2,7-9H,3-6,13H2
InChIKeyQDIPESNTCQYCQD-UHFFFAOYSA-N
XLogP0.88
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-aminoethoxy)-2-propylpyridazin-3-one
CID 103222684
5-(2-aminopropoxy)-2-(thiophen-2-ylmethyl)pyridazin-3-one
CID 103223038
5-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]pentanenitrile
CID 103222821
5-(3-aminopropoxy)-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 103223238
3-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-dimethylpropanamide
CID 103222872
5-[2-(methylamino)ethylamino]-2-(2-thiophen-2-ylethyl)pyridazin-3-one
CID 103223605
5-(2-aminoethoxy)-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 103222846
5-(2-aminoethoxy)-2-[(3-chlorophenyl)methyl]pyridazin-3-one
CID 103222750
5-(2-aminoethoxy)-2-(3-imidazol-1-ylpropyl)pyridazin-3-one
CID 103222662
5-(2-aminoethoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
CID 103222695
6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
CID 114582136
5-(3-aminopropoxy)-2-(3-ethylsulfanylpropyl)pyridazin-3-one
CID 103223312

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2-(2-thiophen-2-ylethyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-(2-thiophen-2-ylethyl)pyridazin-3-one (CID 103222731) is 5-(2-aminoethoxy)-2-(2-thiophen-2-ylethyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-(2-thiophen-2-ylethyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-(2-thiophen-2-ylethyl)pyridazin-3-one is NCCOc1cnn(CCc2cccs2)c(=O)c1.
What is the InChIKey of 5-(2-aminoethoxy)-2-(2-thiophen-2-ylethyl)pyridazin-3-one?
The InChIKey is QDIPESNTCQYCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c13-4-6-17-10-8-12(16)15(14-9-10)5-3-11-2-1-7-18-11/h1-2,7-9H,3-6,13H2.
What are the key properties of 5-(2-aminoethoxy)-2-(2-thiophen-2-ylethyl)pyridazin-3-one?
5-(2-aminoethoxy)-2-(2-thiophen-2-ylethyl)pyridazin-3-one has a molecular weight of 265.34 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-(2-thiophen-2-ylethyl)pyridazin-3-one is sourced from PubChem (CID 103222731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).