2-[2-(2-hydroxyethoxy)ethyl]-5-(propylamino)pyridazin-3-one

C11H19N3O3 — CID 103220329

IUPAC2-[2-(2-hydroxyethoxy)ethyl]-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CCOCCO)c(=O)c1
InChIInChI=1S/C11H19N3O3/c1-2-3-12-10-8-11(16)14(13-9-10)4-6-17-7-5-15/h8-9,12,15H,2-7H2,1H3
InChIKeyLXIORBSGHSDVAF-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.07
Rot. Bonds8

About 2-[2-(2-hydroxyethoxy)ethyl]-5-(propylamino)pyridazin-3-one

2-[2-(2-hydroxyethoxy)ethyl]-5-(propylamino)pyridazin-3-one (PubChem CID 103220329) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethyl]-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethyl]-5-(propylamino)pyridazin-3-one
PubChem CID103220329
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-[2-(2-hydroxyethoxy)ethyl]-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CCOCCO)c(=O)c1
InChIInChI=1S/C11H19N3O3/c1-2-3-12-10-8-11(16)14(13-9-10)4-6-17-7-5-15/h8-9,12,15H,2-7H2,1H3
InChIKeyLXIORBSGHSDVAF-UHFFFAOYSA-N
XLogP0.07
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.07
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 2-[2-(2-hydroxyethoxy)ethyl]-5-(propylamino)pyridazin-3-one?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethyl]-5-(propylamino)pyridazin-3-one (CID 103220329) is 2-[2-(2-hydroxyethoxy)ethyl]-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethyl]-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethyl]-5-(propylamino)pyridazin-3-one is CCCNc1cnn(CCOCCO)c(=O)c1.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethyl]-5-(propylamino)pyridazin-3-one?
The InChIKey is LXIORBSGHSDVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-2-3-12-10-8-11(16)14(13-9-10)4-6-17-7-5-15/h8-9,12,15H,2-7H2,1H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethyl]-5-(propylamino)pyridazin-3-one?
2-[2-(2-hydroxyethoxy)ethyl]-5-(propylamino)pyridazin-3-one has a molecular weight of 241.29 g/mol, XLogP of 0.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethyl]-5-(propylamino)pyridazin-3-one is sourced from PubChem (CID 103220329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).