2-[2-(2-aminoethoxy)ethyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one

C13H22N4O3 — CID 103482440

IUPAC2-[2-(2-aminoethoxy)ethyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
SMILESCOC1CCN(c2cnn(CCOCCN)c(=O)c2)C1
InChIInChI=1S/C13H22N4O3/c1-19-12-2-4-16(10-12)11-8-13(18)17(15-9-11)5-7-20-6-3-14/h8-9,12H,2-7,10,14H2,1H3
InChIKeyVAJGFHDYPKVVNX-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.56
Rot. Bonds7

About 2-[2-(2-aminoethoxy)ethyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one

2-[2-(2-aminoethoxy)ethyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one (PubChem CID 103482440) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
PubChem CID103482440
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name2-[2-(2-aminoethoxy)ethyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
SMILESCOC1CCN(c2cnn(CCOCCN)c(=O)c2)C1
InChIInChI=1S/C13H22N4O3/c1-19-12-2-4-16(10-12)11-8-13(18)17(15-9-11)5-7-20-6-3-14/h8-9,12H,2-7,10,14H2,1H3
InChIKeyVAJGFHDYPKVVNX-UHFFFAOYSA-N
XLogP-0.56
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-(2-aminoethoxy)ethyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-[2-(2-aminoethoxy)ethyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one (CID 103482440) is 2-[2-(2-aminoethoxy)ethyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one is COC1CCN(c2cnn(CCOCCN)c(=O)c2)C1.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The InChIKey is VAJGFHDYPKVVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-19-12-2-4-16(10-12)11-8-13(18)17(15-9-11)5-7-20-6-3-14/h8-9,12H,2-7,10,14H2,1H3.
What are the key properties of 2-[2-(2-aminoethoxy)ethyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
2-[2-(2-aminoethoxy)ethyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one has a molecular weight of 282.34 g/mol, XLogP of -0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 103482440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).