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

C10H17N3OS — CID 103218926

IUPAC5-(ethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one
SMILESCCNc1cnn(CCSCC)c(=O)c1
InChIInChI=1S/C10H17N3OS/c1-3-11-9-7-10(14)13(12-8-9)5-6-15-4-2/h7-8,11H,3-6H2,1-2H3
InChIKeyZBPVKYTXWKMQNM-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.43
Rot. Bonds6

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

5-(ethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one (PubChem CID 103218926) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 5-(ethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(ethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one
PubChem CID103218926
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name5-(ethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one
SMILESCCNc1cnn(CCSCC)c(=O)c1
InChIInChI=1S/C10H17N3OS/c1-3-11-9-7-10(14)13(12-8-9)5-6-15-4-2/h7-8,11H,3-6H2,1-2H3
InChIKeyZBPVKYTXWKMQNM-UHFFFAOYSA-N
XLogP1.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.43
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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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one?
The IUPAC name of 5-(ethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one (CID 103218926) is 5-(ethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one.
What is the SMILES notation for 5-(ethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one?
The canonical SMILES for 5-(ethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one is CCNc1cnn(CCSCC)c(=O)c1.
What is the InChIKey of 5-(ethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one?
The InChIKey is ZBPVKYTXWKMQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-11-9-7-10(14)13(12-8-9)5-6-15-4-2/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 5-(ethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one?
5-(ethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one has a molecular weight of 227.33 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one is sourced from PubChem (CID 103218926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).