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

C10H18N4OS — CID 103221048

IUPAC5-(2-aminoethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one
SMILESCCSCCn1ncc(NCCN)cc1=O
InChIInChI=1S/C10H18N4OS/c1-2-16-6-5-14-10(15)7-9(8-13-14)12-4-3-11/h7-8,12H,2-6,11H2,1H3
InChIKeyBQXTYVMKNCBNFP-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.37
Rot. Bonds7

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

5-(2-aminoethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one (PubChem CID 103221048) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one
PubChem CID103221048
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name5-(2-aminoethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one
SMILESCCSCCn1ncc(NCCN)cc1=O
InChIInChI=1S/C10H18N4OS/c1-2-16-6-5-14-10(15)7-9(8-13-14)12-4-3-11/h7-8,12H,2-6,11H2,1H3
InChIKeyBQXTYVMKNCBNFP-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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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminoethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one (CID 103221048) is 5-(2-aminoethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one is CCSCCn1ncc(NCCN)cc1=O.
What is the InChIKey of 5-(2-aminoethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one?
The InChIKey is BQXTYVMKNCBNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-2-16-6-5-14-10(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-(2-ethylsulfanylethyl)pyridazin-3-one?
5-(2-aminoethylamino)-2-(2-ethylsulfanylethyl)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-(2-ethylsulfanylethyl)pyridazin-3-one is sourced from PubChem (CID 103221048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).