5-(2-aminoethylamino)-2-(3-ethylsulfanylpropyl)pyridazin-3-one

C11H20N4OS — CID 103221311

IUPAC5-(2-aminoethylamino)-2-(3-ethylsulfanylpropyl)pyridazin-3-one
SMILESCCSCCCn1ncc(NCCN)cc1=O
InChIInChI=1S/C11H20N4OS/c1-2-17-7-3-6-15-11(16)8-10(9-14-15)13-5-4-12/h8-9,13H,2-7,12H2,1H3
InChIKeyJSQLJSREQDVMJA-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.76
Rot. Bonds8

About 5-(2-aminoethylamino)-2-(3-ethylsulfanylpropyl)pyridazin-3-one

5-(2-aminoethylamino)-2-(3-ethylsulfanylpropyl)pyridazin-3-one (PubChem CID 103221311) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-2-(3-ethylsulfanylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethylamino)-2-(3-ethylsulfanylpropyl)pyridazin-3-one
PubChem CID103221311
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name5-(2-aminoethylamino)-2-(3-ethylsulfanylpropyl)pyridazin-3-one
SMILESCCSCCCn1ncc(NCCN)cc1=O
InChIInChI=1S/C11H20N4OS/c1-2-17-7-3-6-15-11(16)8-10(9-14-15)13-5-4-12/h8-9,13H,2-7,12H2,1H3
InChIKeyJSQLJSREQDVMJA-UHFFFAOYSA-N
XLogP0.76
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(ethylthio)ethyl]-5-(1-piperazinyl)-3(2H)-pyridazinone
CID 28139138
N-[2-(cyclohexylthio)ethyl]-2-[4-(dimethylamino)-6-oxo-1(6H)-pyridazinyl]acetamide
CID 28954107
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[[3-(dimethylamino)thiolan-3-yl]methyl]acetamide
CID 45211558
2-[6-oxo-4-(1-pyrrolidinyl)-1(6H)-pyridazinyl]-N-(tetrahydro-3-thienyl)acetamide
CID 45222982
2-[2-(isopropylthio)ethyl]-5-(4-methyl-1,4-diazepan-1-yl)-3(2H)-pyridazinone
CID 56906747
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(propylthio)acetamide
CID 70714510
N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide
CID 96367928
N-[[(3R)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide
CID 96367929
5-Amino-2-(2-methylsulfanylethyl)pyridazin-3-one
CID 103218236
5-Amino-2-(2-ethylsulfanylethyl)pyridazin-3-one
CID 103218237
5-Amino-2-(3-methylsulfanylpropyl)pyridazin-3-one
CID 103218308
5-Amino-2-(3-ethylsulfanylpropyl)pyridazin-3-one
CID 103218445

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-2-(3-ethylsulfanylpropyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminoethylamino)-2-(3-ethylsulfanylpropyl)pyridazin-3-one (CID 103221311) is 5-(2-aminoethylamino)-2-(3-ethylsulfanylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethylamino)-2-(3-ethylsulfanylpropyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethylamino)-2-(3-ethylsulfanylpropyl)pyridazin-3-one is CCSCCCn1ncc(NCCN)cc1=O.
What is the InChIKey of 5-(2-aminoethylamino)-2-(3-ethylsulfanylpropyl)pyridazin-3-one?
The InChIKey is JSQLJSREQDVMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-2-17-7-3-6-15-11(16)8-10(9-14-15)13-5-4-12/h8-9,13H,2-7,12H2,1H3.
What are the key properties of 5-(2-aminoethylamino)-2-(3-ethylsulfanylpropyl)pyridazin-3-one?
5-(2-aminoethylamino)-2-(3-ethylsulfanylpropyl)pyridazin-3-one has a molecular weight of 256.37 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-2-(3-ethylsulfanylpropyl)pyridazin-3-one is sourced from PubChem (CID 103221311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).