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

C10H18N4OS — CID 103221152

IUPAC5-(2-aminoethylamino)-2-(3-methylsulfanylpropyl)pyridazin-3-one
SMILESCSCCCn1ncc(NCCN)cc1=O
InChIInChI=1S/C10H18N4OS/c1-16-6-2-5-14-10(15)7-9(8-13-14)12-4-3-11/h7-8,12H,2-6,11H2,1H3
InChIKeyUVFOJLIGJGBEDZ-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.37
Rot. Bonds7

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

5-(2-aminoethylamino)-2-(3-methylsulfanylpropyl)pyridazin-3-one (PubChem CID 103221152) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-2-(3-methylsulfanylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethylamino)-2-(3-methylsulfanylpropyl)pyridazin-3-one
PubChem CID103221152
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name5-(2-aminoethylamino)-2-(3-methylsulfanylpropyl)pyridazin-3-one
SMILESCSCCCn1ncc(NCCN)cc1=O
InChIInChI=1S/C10H18N4OS/c1-16-6-2-5-14-10(15)7-9(8-13-14)12-4-3-11/h7-8,12H,2-6,11H2,1H3
InChIKeyUVFOJLIGJGBEDZ-UHFFFAOYSA-N
XLogP0.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.37
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-methyl-5-{4-[3-(methylthio)propanoyl]piperazin-1-yl}pyridazin-3(2H)-one
CID 91772372
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
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-propylacetamide
CID 103218492
5-(Methylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one
CID 103218515
2-(2-Ethylsulfanylethyl)-5-(methylamino)pyridazin-3-one
CID 103218516
2-[2-(Diethylamino)ethyl]-5-(methylamino)pyridazin-3-one
CID 103218529

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-2-(3-methylsulfanylpropyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminoethylamino)-2-(3-methylsulfanylpropyl)pyridazin-3-one (CID 103221152) is 5-(2-aminoethylamino)-2-(3-methylsulfanylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethylamino)-2-(3-methylsulfanylpropyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethylamino)-2-(3-methylsulfanylpropyl)pyridazin-3-one is CSCCCn1ncc(NCCN)cc1=O.
What is the InChIKey of 5-(2-aminoethylamino)-2-(3-methylsulfanylpropyl)pyridazin-3-one?
The InChIKey is UVFOJLIGJGBEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-16-6-2-5-14-10(15)7-9(8-13-14)12-4-3-11/h7-8,12H,2-6,11H2,1H3.
What are the key properties of 5-(2-aminoethylamino)-2-(3-methylsulfanylpropyl)pyridazin-3-one?
5-(2-aminoethylamino)-2-(3-methylsulfanylpropyl)pyridazin-3-one has a molecular weight of 242.35 g/mol, XLogP of 0.37, 7 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-methylsulfanylpropyl)pyridazin-3-one is sourced from PubChem (CID 103221152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).