4-(3,6-dichloropyridazin-4-yl)morpholine

C8H9Cl2N3O — CID 3124953

IUPAC4-(3,6-dichloropyridazin-4-yl)morpholine
SMILESClc1cc(N2CCOCC2)c(Cl)nn1
InChIInChI=1S/C8H9Cl2N3O/c9-7-5-6(8(10)12-11-7)13-1-3-14-4-2-13/h5H,1-4H2
InChIKeyWITWOVXHOBYYMU-UHFFFAOYSA-N
MW234.09 g/mol
LogP1.62
Rot. Bonds1

About 4-(3,6-dichloropyridazin-4-yl)morpholine

4-(3,6-dichloropyridazin-4-yl)morpholine (PubChem CID 3124953) has the molecular formula C8H9Cl2N3O and a molecular weight of 234.09 g/mol. Its IUPAC name is 4-(3,6-dichloropyridazin-4-yl)morpholine.

Molecular Properties

Compound Name4-(3,6-dichloropyridazin-4-yl)morpholine
PubChem CID3124953
Molecular FormulaC8H9Cl2N3O
Molecular Weight234.09 g/mol
Exact Mass233.01
IUPAC Name4-(3,6-dichloropyridazin-4-yl)morpholine
SMILESClc1cc(N2CCOCC2)c(Cl)nn1
InChIInChI=1S/C8H9Cl2N3O/c9-7-5-6(8(10)12-11-7)13-1-3-14-4-2-13/h5H,1-4H2
InChIKeyWITWOVXHOBYYMU-UHFFFAOYSA-N
XLogP1.62
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dichloropyridazin-4-yl)morpholine?
The IUPAC name of 4-(3,6-dichloropyridazin-4-yl)morpholine (CID 3124953) is 4-(3,6-dichloropyridazin-4-yl)morpholine.
What is the SMILES notation for 4-(3,6-dichloropyridazin-4-yl)morpholine?
The canonical SMILES for 4-(3,6-dichloropyridazin-4-yl)morpholine is Clc1cc(N2CCOCC2)c(Cl)nn1.
What is the InChIKey of 4-(3,6-dichloropyridazin-4-yl)morpholine?
The InChIKey is WITWOVXHOBYYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3O/c9-7-5-6(8(10)12-11-7)13-1-3-14-4-2-13/h5H,1-4H2.
What are the key properties of 4-(3,6-dichloropyridazin-4-yl)morpholine?
4-(3,6-dichloropyridazin-4-yl)morpholine has a molecular weight of 234.09 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dichloropyridazin-4-yl)morpholine is sourced from PubChem (CID 3124953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).