5-(2-aminoethoxy)-2-(4-hydroxybutyl)pyridazin-3-one

C10H17N3O3 — CID 103222802

IUPAC5-(2-aminoethoxy)-2-(4-hydroxybutyl)pyridazin-3-one
SMILESNCCOc1cnn(CCCCO)c(=O)c1
InChIInChI=1S/C10H17N3O3/c11-3-6-16-9-7-10(15)13(12-8-9)4-1-2-5-14/h7-8,14H,1-6,11H2
InChIKeyZDJHNYIXKBQTBQ-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.65
Rot. Bonds7

About 5-(2-aminoethoxy)-2-(4-hydroxybutyl)pyridazin-3-one

5-(2-aminoethoxy)-2-(4-hydroxybutyl)pyridazin-3-one (PubChem CID 103222802) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-(4-hydroxybutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-(4-hydroxybutyl)pyridazin-3-one
PubChem CID103222802
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name5-(2-aminoethoxy)-2-(4-hydroxybutyl)pyridazin-3-one
SMILESNCCOc1cnn(CCCCO)c(=O)c1
InChIInChI=1S/C10H17N3O3/c11-3-6-16-9-7-10(15)13(12-8-9)4-1-2-5-14/h7-8,14H,1-6,11H2
InChIKeyZDJHNYIXKBQTBQ-UHFFFAOYSA-N
XLogP-0.65
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.65
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 5-(2-aminoethoxy)-2-(4-hydroxybutyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-(4-hydroxybutyl)pyridazin-3-one (CID 103222802) is 5-(2-aminoethoxy)-2-(4-hydroxybutyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-(4-hydroxybutyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-(4-hydroxybutyl)pyridazin-3-one is NCCOc1cnn(CCCCO)c(=O)c1.
What is the InChIKey of 5-(2-aminoethoxy)-2-(4-hydroxybutyl)pyridazin-3-one?
The InChIKey is ZDJHNYIXKBQTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c11-3-6-16-9-7-10(15)13(12-8-9)4-1-2-5-14/h7-8,14H,1-6,11H2.
What are the key properties of 5-(2-aminoethoxy)-2-(4-hydroxybutyl)pyridazin-3-one?
5-(2-aminoethoxy)-2-(4-hydroxybutyl)pyridazin-3-one has a molecular weight of 227.26 g/mol, XLogP of -0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-(4-hydroxybutyl)pyridazin-3-one is sourced from PubChem (CID 103222802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).