2-[2-(2-aminoethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one

C10H18N4O2 — CID 103482429

IUPAC2-[2-(2-aminoethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CCOCCN)c(=O)c1
InChIInChI=1S/C10H18N4O2/c1-13(2)9-7-10(15)14(12-8-9)4-6-16-5-3-11/h7-8H,3-6,11H2,1-2H3
InChIKeyTYEIHTFUSRRNHO-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.72
Rot. Bonds6

About 2-[2-(2-aminoethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one

2-[2-(2-aminoethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one (PubChem CID 103482429) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one
PubChem CID103482429
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-[2-(2-aminoethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CCOCCN)c(=O)c1
InChIInChI=1S/C10H18N4O2/c1-13(2)9-7-10(15)14(12-8-9)4-6-16-5-3-11/h7-8H,3-6,11H2,1-2H3
InChIKeyTYEIHTFUSRRNHO-UHFFFAOYSA-N
XLogP-0.72
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-(2-aminoethoxy)ethyl]-5-(dimethylamino)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-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-[2-(2-aminoethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one (CID 103482429) is 2-[2-(2-aminoethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one is CN(C)c1cnn(CCOCCN)c(=O)c1.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one?
The InChIKey is TYEIHTFUSRRNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-13(2)9-7-10(15)14(12-8-9)4-6-16-5-3-11/h7-8H,3-6,11H2,1-2H3.
What are the key properties of 2-[2-(2-aminoethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one?
2-[2-(2-aminoethoxy)ethyl]-5-(dimethylamino)pyridazin-3-one has a molecular weight of 226.28 g/mol, XLogP of -0.72, 6 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-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 103482429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).