5-(2-aminopropoxy)-2-(thiophen-2-ylmethyl)pyridazin-3-one

C12H15N3O2S — CID 103223038

IUPAC5-(2-aminopropoxy)-2-(thiophen-2-ylmethyl)pyridazin-3-one
SMILESCC(N)COc1cnn(Cc2cccs2)c(=O)c1
InChIInChI=1S/C12H15N3O2S/c1-9(13)8-17-10-5-12(16)15(14-6-10)7-11-3-2-4-18-11/h2-6,9H,7-8,13H2,1H3
InChIKeyAUHKOXDBJPXPKS-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.08
Rot. Bonds5

About 5-(2-aminopropoxy)-2-(thiophen-2-ylmethyl)pyridazin-3-one

5-(2-aminopropoxy)-2-(thiophen-2-ylmethyl)pyridazin-3-one (PubChem CID 103223038) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 5-(2-aminopropoxy)-2-(thiophen-2-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminopropoxy)-2-(thiophen-2-ylmethyl)pyridazin-3-one
PubChem CID103223038
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name5-(2-aminopropoxy)-2-(thiophen-2-ylmethyl)pyridazin-3-one
SMILESCC(N)COc1cnn(Cc2cccs2)c(=O)c1
InChIInChI=1S/C12H15N3O2S/c1-9(13)8-17-10-5-12(16)15(14-6-10)7-11-3-2-4-18-11/h2-6,9H,7-8,13H2,1H3
InChIKeyAUHKOXDBJPXPKS-UHFFFAOYSA-N
XLogP1.08
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-aminopropoxy)-2-benzylpyridazin-3-one
CID 103223013
5-(2-aminopropoxy)-2-[(3,5-dimethylphenyl)methyl]pyridazin-3-one
CID 103222940
5-(2-aminopropoxy)-2-(2-hydroxypropyl)pyridazin-3-one
CID 103223050
5-(2-aminopropoxy)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one
CID 103223098
5-(2-aminopropoxy)-2-[(2-chloro-4-fluorophenyl)methyl]pyridazin-3-one
CID 103222984
5-(2-aminoethoxy)-2-(2-thiophen-2-ylethyl)pyridazin-3-one
CID 103222731
2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 103223025
5-(2-aminopropoxy)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one
CID 107914611
4-[(2S)-2-aminopropoxy]-1,6-dimethylpyridin-2-one
CID 99737491
4-(2-aminopropoxy)-6-methylpyran-2-one
CID 86262436
1-[3-(thiophen-2-ylmethyl)triazol-4-yl]ethanone
CID 130566858
4-hydroxy-1-(thiophen-2-ylmethyl)pyrazole-5-carboxylic acid
CID 117233269

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropoxy)-2-(thiophen-2-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminopropoxy)-2-(thiophen-2-ylmethyl)pyridazin-3-one (CID 103223038) is 5-(2-aminopropoxy)-2-(thiophen-2-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminopropoxy)-2-(thiophen-2-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminopropoxy)-2-(thiophen-2-ylmethyl)pyridazin-3-one is CC(N)COc1cnn(Cc2cccs2)c(=O)c1.
What is the InChIKey of 5-(2-aminopropoxy)-2-(thiophen-2-ylmethyl)pyridazin-3-one?
The InChIKey is AUHKOXDBJPXPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-9(13)8-17-10-5-12(16)15(14-6-10)7-11-3-2-4-18-11/h2-6,9H,7-8,13H2,1H3.
What are the key properties of 5-(2-aminopropoxy)-2-(thiophen-2-ylmethyl)pyridazin-3-one?
5-(2-aminopropoxy)-2-(thiophen-2-ylmethyl)pyridazin-3-one has a molecular weight of 265.34 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropoxy)-2-(thiophen-2-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 103223038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).