4,5-dichloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridazin-3-one

C12H15Cl2N3O3 — CID 2585263

IUPAC4,5-dichloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridazin-3-one
SMILESC[C@@H]1CN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)C[C@H](C)O1
InChIInChI=1S/C12H15Cl2N3O3/c1-7-4-16(5-8(2)20-7)10(18)6-17-12(19)11(14)9(13)3-15-17/h3,7-8H,4-6H2,1-2H3/t7-,8+
InChIKeyOYMILCFOMDVKBC-OCAPTIKFSA-N
MW320.18 g/mol
LogP1.19
Rot. Bonds2

About 4,5-dichloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridazin-3-one

4,5-dichloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 2585263) has the molecular formula C12H15Cl2N3O3 and a molecular weight of 320.18 g/mol. Its IUPAC name is 4,5-dichloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID2585263
Molecular FormulaC12H15Cl2N3O3
Molecular Weight320.18 g/mol
Exact Mass319.05
IUPAC Name4,5-dichloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridazin-3-one
SMILESC[C@@H]1CN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)C[C@H](C)O1
InChIInChI=1S/C12H15Cl2N3O3/c1-7-4-16(5-8(2)20-7)10(18)6-17-12(19)11(14)9(13)3-15-17/h3,7-8H,4-6H2,1-2H3/t7-,8+
InChIKeyOYMILCFOMDVKBC-OCAPTIKFSA-N
XLogP1.19
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,5-dichloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridazin-3-one with MolForge

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Related Compounds

4,5-dichloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 95260207
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4,5-dichloropyridazin-3-one
CID 18776705
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 56725380
4,5-dichloro-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 8520544
4,5-dichloro-2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 2093925
3-(4-chloroindazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 56686289
4,5-dichloro-2-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 46605780
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 115573232
3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2347297
2-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55989170
4,5-dichloro-2-[3-chloro-4-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]phenyl]pyridazin-3-one
CID 55828998
N-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 2585062

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridazin-3-one (CID 2585263) is 4,5-dichloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridazin-3-one is C[C@@H]1CN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)C[C@H](C)O1.
What is the InChIKey of 4,5-dichloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is OYMILCFOMDVKBC-OCAPTIKFSA-N. The full InChI is InChI=1S/C12H15Cl2N3O3/c1-7-4-16(5-8(2)20-7)10(18)6-17-12(19)11(14)9(13)3-15-17/h3,7-8H,4-6H2,1-2H3/t7-,8+.
What are the key properties of 4,5-dichloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridazin-3-one?
4,5-dichloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 320.18 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 2585263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).