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

C11H15N3O2 — CID 12550769

IUPAC5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one
SMILESC=CCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C11H15N3O2/c1-2-3-14-11(15)8-10(9-12-14)13-4-6-16-7-5-13/h2,8-9H,1,3-7H2
InChIKeyTZDWPKXKBGLBIJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.27
Rot. Bonds3

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

5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one (PubChem CID 12550769) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one.

Molecular Properties

Compound Name5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one
PubChem CID12550769
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one
SMILESC=CCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C11H15N3O2/c1-2-3-14-11(15)8-10(9-12-14)13-4-6-16-7-5-13/h2,8-9H,1,3-7H2
InChIKeyTZDWPKXKBGLBIJ-UHFFFAOYSA-N
XLogP0.27
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-morpholino-2-(2-oxopropyl)-3(2H)-pyridazinone
CID 1479795
3(2H)-Pyridazinone, 2-allyl-4-ethoxy-5-morpholino-
CID 3057329
2-Methyl-5-(morpholin-4-yl)pyridazin-3(2H)-one
CID 12473911
4-ethoxy-5-morpholin-4-yl-2-[(E)-prop-1-enyl]pyridazin-3-one
CID 12550766
2-(2-ethylbutyl)-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 56912171
2-(3-Methylbut-2-enyl)-5-morpholin-4-ylpyridazin-3-one
CID 72849993
Trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746472
2-Fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetic acid
CID 114393892
Ethyl 2-fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate
CID 114393893
Trifluoro-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]boranuide
CID 114398753
2-(2-butyn-1-yl)-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 30877097
5-(4-Morpholinyl)-3(2H)-pyridazinone
CID 12550771

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one?
The IUPAC name of 5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one (CID 12550769) is 5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one.
What is the SMILES notation for 5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one?
The canonical SMILES for 5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one is C=CCn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one?
The InChIKey is TZDWPKXKBGLBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-3-14-11(15)8-10(9-12-14)13-4-6-16-7-5-13/h2,8-9H,1,3-7H2.
What are the key properties of 5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one?
5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one has a molecular weight of 221.26 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one is sourced from PubChem (CID 12550769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).