4-[6-(chloromethyl)pyridazin-3-yl]morpholine;hydrochloride

C9H13Cl2N3O — CID 82036401

IUPAC4-[6-(chloromethyl)pyridazin-3-yl]morpholine;hydrochloride
SMILESCl.ClCc1ccc(N2CCOCC2)nn1
InChIInChI=1S/C9H12ClN3O.ClH/c10-7-8-1-2-9(12-11-8)13-3-5-14-6-4-13;/h1-2H,3-7H2;1H
InChIKeyYJQHALZBNDMNMI-UHFFFAOYSA-N
MW250.13 g/mol
LogP1.47
Rot. Bonds2

About 4-[6-(chloromethyl)pyridazin-3-yl]morpholine;hydrochloride

4-[6-(chloromethyl)pyridazin-3-yl]morpholine;hydrochloride (PubChem CID 82036401) has the molecular formula C9H13Cl2N3O and a molecular weight of 250.13 g/mol. Its IUPAC name is 4-[6-(chloromethyl)pyridazin-3-yl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[6-(chloromethyl)pyridazin-3-yl]morpholine;hydrochloride
PubChem CID82036401
Molecular FormulaC9H13Cl2N3O
Molecular Weight250.13 g/mol
Exact Mass249.04
IUPAC Name4-[6-(chloromethyl)pyridazin-3-yl]morpholine;hydrochloride
SMILESCl.ClCc1ccc(N2CCOCC2)nn1
InChIInChI=1S/C9H12ClN3O.ClH/c10-7-8-1-2-9(12-11-8)13-3-5-14-6-4-13;/h1-2H,3-7H2;1H
InChIKeyYJQHALZBNDMNMI-UHFFFAOYSA-N
XLogP1.47
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(chloromethyl)pyridazin-3-yl]morpholine;hydrochloride?
The IUPAC name of 4-[6-(chloromethyl)pyridazin-3-yl]morpholine;hydrochloride (CID 82036401) is 4-[6-(chloromethyl)pyridazin-3-yl]morpholine;hydrochloride.
What is the SMILES notation for 4-[6-(chloromethyl)pyridazin-3-yl]morpholine;hydrochloride?
The canonical SMILES for 4-[6-(chloromethyl)pyridazin-3-yl]morpholine;hydrochloride is Cl.ClCc1ccc(N2CCOCC2)nn1.
What is the InChIKey of 4-[6-(chloromethyl)pyridazin-3-yl]morpholine;hydrochloride?
The InChIKey is YJQHALZBNDMNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O.ClH/c10-7-8-1-2-9(12-11-8)13-3-5-14-6-4-13;/h1-2H,3-7H2;1H.
What are the key properties of 4-[6-(chloromethyl)pyridazin-3-yl]morpholine;hydrochloride?
4-[6-(chloromethyl)pyridazin-3-yl]morpholine;hydrochloride has a molecular weight of 250.13 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(chloromethyl)pyridazin-3-yl]morpholine;hydrochloride is sourced from PubChem (CID 82036401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).