2-[2-(2-aminoethoxy)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one

C12H22N4O2 — CID 103482436

IUPAC2-[2-(2-aminoethoxy)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(CCOCCN)c(=O)c1
InChIInChI=1S/C12H22N4O2/c1-3-5-15(2)11-9-12(17)16(14-10-11)6-8-18-7-4-13/h9-10H,3-8,13H2,1-2H3
InChIKeyHSZHPRZRXPUZMY-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.06
Rot. Bonds8

About 2-[2-(2-aminoethoxy)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one

2-[2-(2-aminoethoxy)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one (PubChem CID 103482436) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
PubChem CID103482436
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[2-(2-aminoethoxy)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(CCOCCN)c(=O)c1
InChIInChI=1S/C12H22N4O2/c1-3-5-15(2)11-9-12(17)16(14-10-11)6-8-18-7-4-13/h9-10H,3-8,13H2,1-2H3
InChIKeyHSZHPRZRXPUZMY-UHFFFAOYSA-N
XLogP0.06
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.06
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 2-[2-(2-aminoethoxy)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The IUPAC name of 2-[2-(2-aminoethoxy)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one (CID 103482436) is 2-[2-(2-aminoethoxy)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one is CCCN(C)c1cnn(CCOCCN)c(=O)c1.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The InChIKey is HSZHPRZRXPUZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-5-15(2)11-9-12(17)16(14-10-11)6-8-18-7-4-13/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 2-[2-(2-aminoethoxy)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one?
2-[2-(2-aminoethoxy)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one has a molecular weight of 254.33 g/mol, XLogP of 0.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one is sourced from PubChem (CID 103482436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).