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

C11H14ClN3O2 — CID 12550768

IUPAC4-chloro-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one
SMILESC=CCn1ncc(N2CCOCC2)c(Cl)c1=O
InChIInChI=1S/C11H14ClN3O2/c1-2-3-15-11(16)10(12)9(8-13-15)14-4-6-17-7-5-14/h2,8H,1,3-7H2
InChIKeyFMEFDUZSEKQKRI-UHFFFAOYSA-N
MW255.70 g/mol
LogP0.92
Rot. Bonds3

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

4-chloro-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one (PubChem CID 12550768) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 4-chloro-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one
PubChem CID12550768
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name4-chloro-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one
SMILESC=CCn1ncc(N2CCOCC2)c(Cl)c1=O
InChIInChI=1S/C11H14ClN3O2/c1-2-3-15-11(16)10(12)9(8-13-15)14-4-6-17-7-5-14/h2,8H,1,3-7H2
InChIKeyFMEFDUZSEKQKRI-UHFFFAOYSA-N
XLogP0.92
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 50.92
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

3(2H)-Pyridazinone, 4-chloro-2-methyl-5-morpholino-
CID 120991
4-chloro-2-ethyl-5-morpholino-3(2H)-pyridazinone
CID 2769265
4-Chloro-5-morpholin-4-yl-2-propan-2-ylpyridazin-3-one
CID 8057286
4-chloro-5-morpholino-2-(2-oxopropyl)-3(2H)-pyridazinone
CID 1488906
4-chloro-5-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-yl)pyridazin-3(2H)-one
CID 17582703
2-Methyl-5-(morpholin-4-yl)pyridazin-3(2H)-one
CID 12473911
4-Chloro-5-(2-ethylmorpholin-4-yl)-2-methylpyridazin-3-one
CID 42958438
2-(3-Methylbut-2-enyl)-5-morpholin-4-ylpyridazin-3-one
CID 72849993
2-(2-butyn-1-yl)-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 30877097
4-Chloro-2-(4-morpholin-4-ylbutyl)pyridazin-3-one
CID 156791330
4-chloro-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-propan-2-ylpyridazin-3-one
CID 8031188
4-chloro-5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-propan-2-ylpyridazin-3-one
CID 8031189

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one?
The IUPAC name of 4-chloro-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one (CID 12550768) is 4-chloro-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one is C=CCn1ncc(N2CCOCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one?
The InChIKey is FMEFDUZSEKQKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-2-3-15-11(16)10(12)9(8-13-15)14-4-6-17-7-5-14/h2,8H,1,3-7H2.
What are the key properties of 4-chloro-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one?
4-chloro-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one has a molecular weight of 255.70 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one is sourced from PubChem (CID 12550768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).