4-[6-(2,3,5-trichlorophenyl)pyridazin-3-yl]morpholine

C14H12Cl3N3O — CID 46191641

IUPAC4-[6-(2,3,5-trichlorophenyl)pyridazin-3-yl]morpholine
SMILESClc1cc(Cl)c(Cl)c(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C14H12Cl3N3O/c15-9-7-10(14(17)11(16)8-9)12-1-2-13(19-18-12)20-3-5-21-6-4-20/h1-2,7-8H,3-6H2
InChIKeyRGJSGEMQPCNEHI-UHFFFAOYSA-N
MW344.63 g/mol
LogP3.94
Rot. Bonds2

About 4-[6-(2,3,5-trichlorophenyl)pyridazin-3-yl]morpholine

4-[6-(2,3,5-trichlorophenyl)pyridazin-3-yl]morpholine (PubChem CID 46191641) has the molecular formula C14H12Cl3N3O and a molecular weight of 344.63 g/mol. Its IUPAC name is 4-[6-(2,3,5-trichlorophenyl)pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-(2,3,5-trichlorophenyl)pyridazin-3-yl]morpholine
PubChem CID46191641
Molecular FormulaC14H12Cl3N3O
Molecular Weight344.63 g/mol
Exact Mass343.00
IUPAC Name4-[6-(2,3,5-trichlorophenyl)pyridazin-3-yl]morpholine
SMILESClc1cc(Cl)c(Cl)c(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C14H12Cl3N3O/c15-9-7-10(14(17)11(16)8-9)12-1-2-13(19-18-12)20-3-5-21-6-4-20/h1-2,7-8H,3-6H2
InChIKeyRGJSGEMQPCNEHI-UHFFFAOYSA-N
XLogP3.94
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.63
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,3,5-trichlorophenyl)pyridazin-3-yl]morpholine?
The IUPAC name of 4-[6-(2,3,5-trichlorophenyl)pyridazin-3-yl]morpholine (CID 46191641) is 4-[6-(2,3,5-trichlorophenyl)pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[6-(2,3,5-trichlorophenyl)pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[6-(2,3,5-trichlorophenyl)pyridazin-3-yl]morpholine is Clc1cc(Cl)c(Cl)c(-c2ccc(N3CCOCC3)nn2)c1.
What is the InChIKey of 4-[6-(2,3,5-trichlorophenyl)pyridazin-3-yl]morpholine?
The InChIKey is RGJSGEMQPCNEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N3O/c15-9-7-10(14(17)11(16)8-9)12-1-2-13(19-18-12)20-3-5-21-6-4-20/h1-2,7-8H,3-6H2.
What are the key properties of 4-[6-(2,3,5-trichlorophenyl)pyridazin-3-yl]morpholine?
4-[6-(2,3,5-trichlorophenyl)pyridazin-3-yl]morpholine has a molecular weight of 344.63 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,3,5-trichlorophenyl)pyridazin-3-yl]morpholine is sourced from PubChem (CID 46191641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).