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

C11H19N3O2 — CID 103222694

IUPAC5-(2-aminoethoxy)-2-(2-methylbutyl)pyridazin-3-one
SMILESCCC(C)Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C11H19N3O2/c1-3-9(2)8-14-11(15)6-10(7-13-14)16-5-4-12/h6-7,9H,3-5,8,12H2,1-2H3
InChIKeyVGWDFQPXBCGQJA-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.63
Rot. Bonds6

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

5-(2-aminoethoxy)-2-(2-methylbutyl)pyridazin-3-one (PubChem CID 103222694) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-(2-methylbutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-(2-methylbutyl)pyridazin-3-one
PubChem CID103222694
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-(2-aminoethoxy)-2-(2-methylbutyl)pyridazin-3-one
SMILESCCC(C)Cn1ncc(OCCN)cc1=O
InChIInChI=1S/C11H19N3O2/c1-3-9(2)8-14-11(15)6-10(7-13-14)16-5-4-12/h6-7,9H,3-5,8,12H2,1-2H3
InChIKeyVGWDFQPXBCGQJA-UHFFFAOYSA-N
XLogP0.63
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-Aminoethoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103222856
5-(2-Aminopropoxy)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103223073
2-(4-Amino-3-ethoxybutyl)pyridazin-3-one
CID 63070112
5-(2-Aminoethoxy)-2-methylpyridazin-3-one
CID 84075911
5-(2-Aminoethoxy)-2-nonylpyridazin-3-one
CID 103222643
5-(2-Aminoethoxy)-2-heptylpyridazin-3-one
CID 103222644
5-(2-Aminoethoxy)-2-hexylpyridazin-3-one
CID 103222645
5-(2-Aminoethoxy)-2-(2-methylpropyl)pyridazin-3-one
CID 103222646
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-diethylacetamide
CID 103222647
5-(2-Aminoethoxy)-2-(cyclohexylmethyl)pyridazin-3-one
CID 103222650
2-[4-(2-Aminoethoxy)-6-oxopyridazin-1-yl]acetonitrile
CID 103222651
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide
CID 103222655

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2-(2-methylbutyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-(2-methylbutyl)pyridazin-3-one (CID 103222694) is 5-(2-aminoethoxy)-2-(2-methylbutyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-(2-methylbutyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-(2-methylbutyl)pyridazin-3-one is CCC(C)Cn1ncc(OCCN)cc1=O.
What is the InChIKey of 5-(2-aminoethoxy)-2-(2-methylbutyl)pyridazin-3-one?
The InChIKey is VGWDFQPXBCGQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-9(2)8-14-11(15)6-10(7-13-14)16-5-4-12/h6-7,9H,3-5,8,12H2,1-2H3.
What are the key properties of 5-(2-aminoethoxy)-2-(2-methylbutyl)pyridazin-3-one?
5-(2-aminoethoxy)-2-(2-methylbutyl)pyridazin-3-one has a molecular weight of 225.29 g/mol, XLogP of 0.63, 6 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-methylbutyl)pyridazin-3-one is sourced from PubChem (CID 103222694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).