4-ethoxy-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one

C13H19N3O3 — CID 3057329

IUPAC4-ethoxy-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one
SMILESC=CCn1ncc(N2CCOCC2)c(OCC)c1=O
InChIInChI=1S/C13H19N3O3/c1-3-5-16-13(17)12(19-4-2)11(10-14-16)15-6-8-18-9-7-15/h3,10H,1,4-9H2,2H3
InChIKeyAHYFGTCIFTWAQU-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.66
Rot. Bonds5

About 4-ethoxy-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one

4-ethoxy-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one (PubChem CID 3057329) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-ethoxy-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one.

Molecular Properties

Compound Name4-ethoxy-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one
PubChem CID3057329
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-ethoxy-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one
SMILESC=CCn1ncc(N2CCOCC2)c(OCC)c1=O
InChIInChI=1S/C13H19N3O3/c1-3-5-16-13(17)12(19-4-2)11(10-14-16)15-6-8-18-9-7-15/h3,10H,1,4-9H2,2H3
InChIKeyAHYFGTCIFTWAQU-UHFFFAOYSA-N
XLogP0.66
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one?
The IUPAC name of 4-ethoxy-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one (CID 3057329) is 4-ethoxy-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one.
What is the SMILES notation for 4-ethoxy-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one?
The canonical SMILES for 4-ethoxy-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one is C=CCn1ncc(N2CCOCC2)c(OCC)c1=O.
What is the InChIKey of 4-ethoxy-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one?
The InChIKey is AHYFGTCIFTWAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-5-16-13(17)12(19-4-2)11(10-14-16)15-6-8-18-9-7-15/h3,10H,1,4-9H2,2H3.
What are the key properties of 4-ethoxy-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one?
4-ethoxy-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one has a molecular weight of 265.31 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one is sourced from PubChem (CID 3057329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).