2-(2-ethylsulfanylethyl)-5-(methylamino)pyridazin-3-one

C9H15N3OS — CID 103218516

IUPAC2-(2-ethylsulfanylethyl)-5-(methylamino)pyridazin-3-one
SMILESCCSCCn1ncc(NC)cc1=O
InChIInChI=1S/C9H15N3OS/c1-3-14-5-4-12-9(13)6-8(10-2)7-11-12/h6-7,10H,3-5H2,1-2H3
InChIKeyMNQTYJZBLITWCN-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.04
Rot. Bonds5

About 2-(2-ethylsulfanylethyl)-5-(methylamino)pyridazin-3-one

2-(2-ethylsulfanylethyl)-5-(methylamino)pyridazin-3-one (PubChem CID 103218516) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-(2-ethylsulfanylethyl)-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-ethylsulfanylethyl)-5-(methylamino)pyridazin-3-one
PubChem CID103218516
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-(2-ethylsulfanylethyl)-5-(methylamino)pyridazin-3-one
SMILESCCSCCn1ncc(NC)cc1=O
InChIInChI=1S/C9H15N3OS/c1-3-14-5-4-12-9(13)6-8(10-2)7-11-12/h6-7,10H,3-5H2,1-2H3
InChIKeyMNQTYJZBLITWCN-UHFFFAOYSA-N
XLogP1.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-5-(methylamino)pyridazin-3-one
CID 103218572
5-(methylamino)-2-(3-methylbutyl)pyridazin-3-one
CID 103218528
2-(3-ethylsulfanylpropyl)-5-(2-methylpropylamino)pyridazin-3-one
CID 103221727
2-(2-cyclohexylethyl)-5-(methylamino)pyridazin-3-one
CID 114193602
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-pentan-3-ylacetamide
CID 103218532
N,N-dimethyl-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide
CID 103218559
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 103218568
2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223613
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218474
2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218493
2-[2-(dimethylamino)ethyl]-5-(ethylamino)pyridazin-3-one
CID 103219051
2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218806

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanylethyl)-5-(methylamino)pyridazin-3-one?
The IUPAC name of 2-(2-ethylsulfanylethyl)-5-(methylamino)pyridazin-3-one (CID 103218516) is 2-(2-ethylsulfanylethyl)-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 2-(2-ethylsulfanylethyl)-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 2-(2-ethylsulfanylethyl)-5-(methylamino)pyridazin-3-one is CCSCCn1ncc(NC)cc1=O.
What is the InChIKey of 2-(2-ethylsulfanylethyl)-5-(methylamino)pyridazin-3-one?
The InChIKey is MNQTYJZBLITWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-14-5-4-12-9(13)6-8(10-2)7-11-12/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 2-(2-ethylsulfanylethyl)-5-(methylamino)pyridazin-3-one?
2-(2-ethylsulfanylethyl)-5-(methylamino)pyridazin-3-one has a molecular weight of 213.31 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanylethyl)-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 103218516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).