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

C10H14Cl3N3O2 — CID 3049769

IUPAC4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one;hydrochloride
SMILESCl.O=c1c(Cl)c(Cl)cnn1CCN1CCOCC1
InChIInChI=1S/C10H13Cl2N3O2.ClH/c11-8-7-13-15(10(16)9(8)12)2-1-14-3-5-17-6-4-14;/h7H,1-6H2;1H
InChIKeyYOOWVHMUWOUEED-UHFFFAOYSA-N
MW314.60 g/mol
LogP1.30
Rot. Bonds3

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

4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one;hydrochloride (PubChem CID 3049769) has the molecular formula C10H14Cl3N3O2 and a molecular weight of 314.60 g/mol. Its IUPAC name is 4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one;hydrochloride
PubChem CID3049769
Molecular FormulaC10H14Cl3N3O2
Molecular Weight314.60 g/mol
Exact Mass313.02
IUPAC Name4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one;hydrochloride
SMILESCl.O=c1c(Cl)c(Cl)cnn1CCN1CCOCC1
InChIInChI=1S/C10H13Cl2N3O2.ClH/c11-8-7-13-15(10(16)9(8)12)2-1-14-3-5-17-6-4-14;/h7H,1-6H2;1H
InChIKeyYOOWVHMUWOUEED-UHFFFAOYSA-N
XLogP1.30
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.60
LogP ≤ 51.30
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;hydrochloride?
The IUPAC name of 4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one;hydrochloride (CID 3049769) is 4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one;hydrochloride.
What is the SMILES notation for 4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one;hydrochloride?
The canonical SMILES for 4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one;hydrochloride is Cl.O=c1c(Cl)c(Cl)cnn1CCN1CCOCC1.
What is the InChIKey of 4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one;hydrochloride?
The InChIKey is YOOWVHMUWOUEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O2.ClH/c11-8-7-13-15(10(16)9(8)12)2-1-14-3-5-17-6-4-14;/h7H,1-6H2;1H.
What are the key properties of 4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one;hydrochloride?
4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one;hydrochloride has a molecular weight of 314.60 g/mol, XLogP of 1.30, 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;hydrochloride is sourced from PubChem (CID 3049769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).