5-[ethyl(methyl)amino]-2-(3-hydroxybutyl)pyridazin-3-one

C11H19N3O2 — CID 114396530

IUPAC5-[ethyl(methyl)amino]-2-(3-hydroxybutyl)pyridazin-3-one
SMILESCCN(C)c1cnn(CCC(C)O)c(=O)c1
InChIInChI=1S/C11H19N3O2/c1-4-13(3)10-7-11(16)14(12-8-10)6-5-9(2)15/h7-9,15H,4-6H2,1-3H3
InChIKeyGCPKOCUTXDRRDG-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.47
Rot. Bonds5

About 5-[ethyl(methyl)amino]-2-(3-hydroxybutyl)pyridazin-3-one

5-[ethyl(methyl)amino]-2-(3-hydroxybutyl)pyridazin-3-one (PubChem CID 114396530) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-[ethyl(methyl)amino]-2-(3-hydroxybutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[ethyl(methyl)amino]-2-(3-hydroxybutyl)pyridazin-3-one
PubChem CID114396530
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-[ethyl(methyl)amino]-2-(3-hydroxybutyl)pyridazin-3-one
SMILESCCN(C)c1cnn(CCC(C)O)c(=O)c1
InChIInChI=1S/C11H19N3O2/c1-4-13(3)10-7-11(16)14(12-8-10)6-5-9(2)15/h7-9,15H,4-6H2,1-3H3
InChIKeyGCPKOCUTXDRRDG-UHFFFAOYSA-N
XLogP0.47
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(methyl)amino]-2-(3-hydroxybutyl)pyridazin-3-one?
The IUPAC name of 5-[ethyl(methyl)amino]-2-(3-hydroxybutyl)pyridazin-3-one (CID 114396530) is 5-[ethyl(methyl)amino]-2-(3-hydroxybutyl)pyridazin-3-one.
What is the SMILES notation for 5-[ethyl(methyl)amino]-2-(3-hydroxybutyl)pyridazin-3-one?
The canonical SMILES for 5-[ethyl(methyl)amino]-2-(3-hydroxybutyl)pyridazin-3-one is CCN(C)c1cnn(CCC(C)O)c(=O)c1.
What is the InChIKey of 5-[ethyl(methyl)amino]-2-(3-hydroxybutyl)pyridazin-3-one?
The InChIKey is GCPKOCUTXDRRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-13(3)10-7-11(16)14(12-8-10)6-5-9(2)15/h7-9,15H,4-6H2,1-3H3.
What are the key properties of 5-[ethyl(methyl)amino]-2-(3-hydroxybutyl)pyridazin-3-one?
5-[ethyl(methyl)amino]-2-(3-hydroxybutyl)pyridazin-3-one has a molecular weight of 225.29 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methyl)amino]-2-(3-hydroxybutyl)pyridazin-3-one is sourced from PubChem (CID 114396530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).