2-(2-ethylbutyl)-5-morpholin-4-ylpyridazin-3-one

C14H23N3O2 — CID 56912171

IUPAC2-(2-ethylbutyl)-5-morpholin-4-ylpyridazin-3-one
SMILESCCC(CC)Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C14H23N3O2/c1-3-12(4-2)11-17-14(18)9-13(10-15-17)16-5-7-19-8-6-16/h9-10,12H,3-8,11H2,1-2H3
InChIKeyUVQCHJYNDYVKRX-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.52
Rot. Bonds5

About 2-(2-ethylbutyl)-5-morpholin-4-ylpyridazin-3-one

2-(2-ethylbutyl)-5-morpholin-4-ylpyridazin-3-one (PubChem CID 56912171) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(2-ethylbutyl)-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-ethylbutyl)-5-morpholin-4-ylpyridazin-3-one
PubChem CID56912171
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(2-ethylbutyl)-5-morpholin-4-ylpyridazin-3-one
SMILESCCC(CC)Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C14H23N3O2/c1-3-12(4-2)11-17-14(18)9-13(10-15-17)16-5-7-19-8-6-16/h9-10,12H,3-8,11H2,1-2H3
InChIKeyUVQCHJYNDYVKRX-UHFFFAOYSA-N
XLogP1.52
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutyl)-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-(2-ethylbutyl)-5-morpholin-4-ylpyridazin-3-one (CID 56912171) is 2-(2-ethylbutyl)-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-(2-ethylbutyl)-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-(2-ethylbutyl)-5-morpholin-4-ylpyridazin-3-one is CCC(CC)Cn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 2-(2-ethylbutyl)-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is UVQCHJYNDYVKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-12(4-2)11-17-14(18)9-13(10-15-17)16-5-7-19-8-6-16/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of 2-(2-ethylbutyl)-5-morpholin-4-ylpyridazin-3-one?
2-(2-ethylbutyl)-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 265.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutyl)-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 56912171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).