4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one

C10H13Cl2N3O2 — CID 3049770

IUPAC4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCN1CCOCC1
InChIInChI=1S/C10H13Cl2N3O2/c11-8-7-13-15(10(16)9(8)12)2-1-14-3-5-17-6-4-14/h7H,1-6H2
InChIKeyBEWINPVSLXOAQS-UHFFFAOYSA-N
MW278.14 g/mol
LogP0.88
Rot. Bonds3

About 4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one

4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one (PubChem CID 3049770) has the molecular formula C10H13Cl2N3O2 and a molecular weight of 278.14 g/mol. Its IUPAC name is 4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one
PubChem CID3049770
Molecular FormulaC10H13Cl2N3O2
Molecular Weight278.14 g/mol
Exact Mass277.04
IUPAC Name4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1CCN1CCOCC1
InChIInChI=1S/C10H13Cl2N3O2/c11-8-7-13-15(10(16)9(8)12)2-1-14-3-5-17-6-4-14/h7H,1-6H2
InChIKeyBEWINPVSLXOAQS-UHFFFAOYSA-N
XLogP0.88
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one (CID 3049770) is 4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1CCN1CCOCC1.
What is the InChIKey of 4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one?
The InChIKey is BEWINPVSLXOAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O2/c11-8-7-13-15(10(16)9(8)12)2-1-14-3-5-17-6-4-14/h7H,1-6H2.
What are the key properties of 4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one?
4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one has a molecular weight of 278.14 g/mol, XLogP of 0.88, 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-(2-morpholin-4-ylethyl)pyridazin-3-one is sourced from PubChem (CID 3049770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).