5-(2-aminopropoxy)-2-(3-methoxypropyl)pyridazin-3-one

C11H19N3O3 — CID 103222927

IUPAC5-(2-aminopropoxy)-2-(3-methoxypropyl)pyridazin-3-one
SMILESCOCCCn1ncc(OCC(C)N)cc1=O
InChIInChI=1S/C11H19N3O3/c1-9(12)8-17-10-6-11(15)14(13-7-10)4-3-5-16-2/h6-7,9H,3-5,8,12H2,1-2H3
InChIKeyKHPNJQOWVVGOKN-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.01
Rot. Bonds7

About 5-(2-aminopropoxy)-2-(3-methoxypropyl)pyridazin-3-one

5-(2-aminopropoxy)-2-(3-methoxypropyl)pyridazin-3-one (PubChem CID 103222927) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-(2-aminopropoxy)-2-(3-methoxypropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminopropoxy)-2-(3-methoxypropyl)pyridazin-3-one
PubChem CID103222927
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name5-(2-aminopropoxy)-2-(3-methoxypropyl)pyridazin-3-one
SMILESCOCCCn1ncc(OCC(C)N)cc1=O
InChIInChI=1S/C11H19N3O3/c1-9(12)8-17-10-6-11(15)14(13-7-10)4-3-5-16-2/h6-7,9H,3-5,8,12H2,1-2H3
InChIKeyKHPNJQOWVVGOKN-UHFFFAOYSA-N
XLogP0.01
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.01
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-aminopropoxy)-2-(3-methoxypropyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminopropoxy)-2-(3-methoxypropyl)pyridazin-3-one (CID 103222927) is 5-(2-aminopropoxy)-2-(3-methoxypropyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminopropoxy)-2-(3-methoxypropyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminopropoxy)-2-(3-methoxypropyl)pyridazin-3-one is COCCCn1ncc(OCC(C)N)cc1=O.
What is the InChIKey of 5-(2-aminopropoxy)-2-(3-methoxypropyl)pyridazin-3-one?
The InChIKey is KHPNJQOWVVGOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-9(12)8-17-10-6-11(15)14(13-7-10)4-3-5-16-2/h6-7,9H,3-5,8,12H2,1-2H3.
What are the key properties of 5-(2-aminopropoxy)-2-(3-methoxypropyl)pyridazin-3-one?
5-(2-aminopropoxy)-2-(3-methoxypropyl)pyridazin-3-one has a molecular weight of 241.29 g/mol, XLogP of 0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropoxy)-2-(3-methoxypropyl)pyridazin-3-one is sourced from PubChem (CID 103222927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).