2-butyl-4-ethoxy-5-morpholin-4-ylpyridazin-3-one

C14H23N3O3 — CID 12550765

IUPAC2-butyl-4-ethoxy-5-morpholin-4-ylpyridazin-3-one
SMILESCCCCn1ncc(N2CCOCC2)c(OCC)c1=O
InChIInChI=1S/C14H23N3O3/c1-3-5-6-17-14(18)13(20-4-2)12(11-15-17)16-7-9-19-10-8-16/h11H,3-10H2,1-2H3
InChIKeyVAMUDFXJOVKFAQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.28
Rot. Bonds6

About 2-butyl-4-ethoxy-5-morpholin-4-ylpyridazin-3-one

2-butyl-4-ethoxy-5-morpholin-4-ylpyridazin-3-one (PubChem CID 12550765) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-butyl-4-ethoxy-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-ethoxy-5-morpholin-4-ylpyridazin-3-one
PubChem CID12550765
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-butyl-4-ethoxy-5-morpholin-4-ylpyridazin-3-one
SMILESCCCCn1ncc(N2CCOCC2)c(OCC)c1=O
InChIInChI=1S/C14H23N3O3/c1-3-5-6-17-14(18)13(20-4-2)12(11-15-17)16-7-9-19-10-8-16/h11H,3-10H2,1-2H3
InChIKeyVAMUDFXJOVKFAQ-UHFFFAOYSA-N
XLogP1.28
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-ethoxy-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-butyl-4-ethoxy-5-morpholin-4-ylpyridazin-3-one (CID 12550765) is 2-butyl-4-ethoxy-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-butyl-4-ethoxy-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-butyl-4-ethoxy-5-morpholin-4-ylpyridazin-3-one is CCCCn1ncc(N2CCOCC2)c(OCC)c1=O.
What is the InChIKey of 2-butyl-4-ethoxy-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is VAMUDFXJOVKFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-5-6-17-14(18)13(20-4-2)12(11-15-17)16-7-9-19-10-8-16/h11H,3-10H2,1-2H3.
What are the key properties of 2-butyl-4-ethoxy-5-morpholin-4-ylpyridazin-3-one?
2-butyl-4-ethoxy-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 281.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-ethoxy-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 12550765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).