4,5-dichloro-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one

C11H15Cl2N3O2 — CID 114386480

IUPAC4,5-dichloro-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one
SMILESCCN1CCOC(Cn2ncc(Cl)c(Cl)c2=O)C1
InChIInChI=1S/C11H15Cl2N3O2/c1-2-15-3-4-18-8(6-15)7-16-11(17)10(13)9(12)5-14-16/h5,8H,2-4,6-7H2,1H3
InChIKeySVYUHIQNJCHEON-UHFFFAOYSA-N
MW292.17 g/mol
LogP1.27
Rot. Bonds3

About 4,5-dichloro-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one

4,5-dichloro-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one (PubChem CID 114386480) has the molecular formula C11H15Cl2N3O2 and a molecular weight of 292.17 g/mol. Its IUPAC name is 4,5-dichloro-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one
PubChem CID114386480
Molecular FormulaC11H15Cl2N3O2
Molecular Weight292.17 g/mol
Exact Mass291.05
IUPAC Name4,5-dichloro-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one
SMILESCCN1CCOC(Cn2ncc(Cl)c(Cl)c2=O)C1
InChIInChI=1S/C11H15Cl2N3O2/c1-2-15-3-4-18-8(6-15)7-16-11(17)10(13)9(12)5-14-16/h5,8H,2-4,6-7H2,1H3
InChIKeySVYUHIQNJCHEON-UHFFFAOYSA-N
XLogP1.27
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid
CID 79172074
5-bromo-6-chloro-3-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 114583459
1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione
CID 114400408
5-(3-aminopropoxy)-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one
CID 103223272
(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone
CID 114641456
(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanamine
CID 114657772
1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one
CID 116618394
5-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one
CID 113233659
2-[(4-ethylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
CID 103218116
4,5-dichloro-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridazin-3-one
CID 114386479
2,4-diethylmorpholine
CID 58988021
2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]propan-2-amine
CID 114707763

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one (CID 114386480) is 4,5-dichloro-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one is CCN1CCOC(Cn2ncc(Cl)c(Cl)c2=O)C1.
What is the InChIKey of 4,5-dichloro-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one?
The InChIKey is SVYUHIQNJCHEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O2/c1-2-15-3-4-18-8(6-15)7-16-11(17)10(13)9(12)5-14-16/h5,8H,2-4,6-7H2,1H3.
What are the key properties of 4,5-dichloro-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one?
4,5-dichloro-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one has a molecular weight of 292.17 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 114386480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).