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

C10H11Cl2N3O3 — CID 2585144

IUPAC4,5-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCOCC1
InChIInChI=1S/C10H11Cl2N3O3/c11-7-5-13-15(10(17)9(7)12)6-8(16)14-1-3-18-4-2-14/h5H,1-4,6H2
InChIKeyHXTFIGICUCNFCV-UHFFFAOYSA-N
MW292.12 g/mol
LogP0.41
Rot. Bonds2

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

4,5-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one (PubChem CID 2585144) has the molecular formula C10H11Cl2N3O3 and a molecular weight of 292.12 g/mol. Its IUPAC name is 4,5-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
PubChem CID2585144
Molecular FormulaC10H11Cl2N3O3
Molecular Weight292.12 g/mol
Exact Mass291.02
IUPAC Name4,5-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCOCC1
InChIInChI=1S/C10H11Cl2N3O3/c11-7-5-13-15(10(17)9(7)12)6-8(16)14-1-3-18-4-2-14/h5H,1-4,6H2
InChIKeyHXTFIGICUCNFCV-UHFFFAOYSA-N
XLogP0.41
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 50.41
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-yl-2-oxoethyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one (CID 2585144) is 4,5-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one is O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCOCC1.
What is the InChIKey of 4,5-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one?
The InChIKey is HXTFIGICUCNFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O3/c11-7-5-13-15(10(17)9(7)12)6-8(16)14-1-3-18-4-2-14/h5H,1-4,6H2.
What are the key properties of 4,5-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one?
4,5-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one has a molecular weight of 292.12 g/mol, XLogP of 0.41, 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-morpholin-4-yl-2-oxoethyl)pyridazin-3-one is sourced from PubChem (CID 2585144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).