5-(2-aminoethoxy)-2-(2-ethylbutyl)pyridazin-3-one

C12H21N3O2 — CID 103222776

IUPAC5-(2-aminoethoxy)-2-(2-ethylbutyl)pyridazin-3-one
SMILESCCC(CC)Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C12H21N3O2/c1-3-10(4-2)9-15-12(16)7-11(8-14-15)17-6-5-13/h7-8,10H,3-6,9,13H2,1-2H3
InChIKeyLYNDCBWIPWEBTH-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.02
Rot. Bonds7

About 5-(2-aminoethoxy)-2-(2-ethylbutyl)pyridazin-3-one

5-(2-aminoethoxy)-2-(2-ethylbutyl)pyridazin-3-one (PubChem CID 103222776) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-(2-ethylbutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-(2-ethylbutyl)pyridazin-3-one
PubChem CID103222776
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name5-(2-aminoethoxy)-2-(2-ethylbutyl)pyridazin-3-one
SMILESCCC(CC)Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C12H21N3O2/c1-3-10(4-2)9-15-12(16)7-11(8-14-15)17-6-5-13/h7-8,10H,3-6,9,13H2,1-2H3
InChIKeyLYNDCBWIPWEBTH-UHFFFAOYSA-N
XLogP1.02
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2-(2-ethylbutyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-(2-ethylbutyl)pyridazin-3-one (CID 103222776) is 5-(2-aminoethoxy)-2-(2-ethylbutyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-(2-ethylbutyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-(2-ethylbutyl)pyridazin-3-one is CCC(CC)Cn1ncc(OCCN)cc1=O.
What is the InChIKey of 5-(2-aminoethoxy)-2-(2-ethylbutyl)pyridazin-3-one?
The InChIKey is LYNDCBWIPWEBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-10(4-2)9-15-12(16)7-11(8-14-15)17-6-5-13/h7-8,10H,3-6,9,13H2,1-2H3.
What are the key properties of 5-(2-aminoethoxy)-2-(2-ethylbutyl)pyridazin-3-one?
5-(2-aminoethoxy)-2-(2-ethylbutyl)pyridazin-3-one has a molecular weight of 239.32 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-(2-ethylbutyl)pyridazin-3-one is sourced from PubChem (CID 103222776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).