5-[2-aminoethyl(methyl)amino]-2-(3-methylsulfanylpropyl)pyridazin-3-one

C11H20N4OS — CID 103223428

IUPAC5-[2-aminoethyl(methyl)amino]-2-(3-methylsulfanylpropyl)pyridazin-3-one
SMILESCSCCCn1ncc(N(C)CCN)cc1=O
InChIInChI=1S/C11H20N4OS/c1-14(6-4-12)10-8-11(16)15(13-9-10)5-3-7-17-2/h8-9H,3-7,12H2,1-2H3
InChIKeyCFXLBQRRCBXZLO-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.39
Rot. Bonds7

About 5-[2-aminoethyl(methyl)amino]-2-(3-methylsulfanylpropyl)pyridazin-3-one

5-[2-aminoethyl(methyl)amino]-2-(3-methylsulfanylpropyl)pyridazin-3-one (PubChem CID 103223428) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 5-[2-aminoethyl(methyl)amino]-2-(3-methylsulfanylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[2-aminoethyl(methyl)amino]-2-(3-methylsulfanylpropyl)pyridazin-3-one
PubChem CID103223428
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name5-[2-aminoethyl(methyl)amino]-2-(3-methylsulfanylpropyl)pyridazin-3-one
SMILESCSCCCn1ncc(N(C)CCN)cc1=O
InChIInChI=1S/C11H20N4OS/c1-14(6-4-12)10-8-11(16)15(13-9-10)5-3-7-17-2/h8-9H,3-7,12H2,1-2H3
InChIKeyCFXLBQRRCBXZLO-UHFFFAOYSA-N
XLogP0.39
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.39
H-Bond Donors ≤ 51
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-aminoethyl(methyl)amino]-2-(3-methylsulfanylpropyl)pyridazin-3-one?
The IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-(3-methylsulfanylpropyl)pyridazin-3-one (CID 103223428) is 5-[2-aminoethyl(methyl)amino]-2-(3-methylsulfanylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-[2-aminoethyl(methyl)amino]-2-(3-methylsulfanylpropyl)pyridazin-3-one?
The canonical SMILES for 5-[2-aminoethyl(methyl)amino]-2-(3-methylsulfanylpropyl)pyridazin-3-one is CSCCCn1ncc(N(C)CCN)cc1=O.
What is the InChIKey of 5-[2-aminoethyl(methyl)amino]-2-(3-methylsulfanylpropyl)pyridazin-3-one?
The InChIKey is CFXLBQRRCBXZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-14(6-4-12)10-8-11(16)15(13-9-10)5-3-7-17-2/h8-9H,3-7,12H2,1-2H3.
What are the key properties of 5-[2-aminoethyl(methyl)amino]-2-(3-methylsulfanylpropyl)pyridazin-3-one?
5-[2-aminoethyl(methyl)amino]-2-(3-methylsulfanylpropyl)pyridazin-3-one has a molecular weight of 256.37 g/mol, XLogP of 0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-aminoethyl(methyl)amino]-2-(3-methylsulfanylpropyl)pyridazin-3-one is sourced from PubChem (CID 103223428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).