4-[6-(chloromethyl)pyridazin-3-yl]-2,6-dimethylmorpholine

C11H16ClN3O — CID 61257804

IUPAC4-[6-(chloromethyl)pyridazin-3-yl]-2,6-dimethylmorpholine
SMILESCC1CN(c2ccc(CCl)nn2)CC(C)O1
InChIInChI=1S/C11H16ClN3O/c1-8-6-15(7-9(2)16-8)11-4-3-10(5-12)13-14-11/h3-4,8-9H,5-7H2,1-2H3
InChIKeyARADUHZZUYWQAU-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.83
Rot. Bonds2

About 4-[6-(chloromethyl)pyridazin-3-yl]-2,6-dimethylmorpholine

4-[6-(chloromethyl)pyridazin-3-yl]-2,6-dimethylmorpholine (PubChem CID 61257804) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-[6-(chloromethyl)pyridazin-3-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[6-(chloromethyl)pyridazin-3-yl]-2,6-dimethylmorpholine
PubChem CID61257804
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-[6-(chloromethyl)pyridazin-3-yl]-2,6-dimethylmorpholine
SMILESCC1CN(c2ccc(CCl)nn2)CC(C)O1
InChIInChI=1S/C11H16ClN3O/c1-8-6-15(7-9(2)16-8)11-4-3-10(5-12)13-14-11/h3-4,8-9H,5-7H2,1-2H3
InChIKeyARADUHZZUYWQAU-UHFFFAOYSA-N
XLogP1.83
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.83
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]-2,6-dimethylmorpholine?
The IUPAC name of 4-[6-(chloromethyl)pyridazin-3-yl]-2,6-dimethylmorpholine (CID 61257804) is 4-[6-(chloromethyl)pyridazin-3-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[6-(chloromethyl)pyridazin-3-yl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[6-(chloromethyl)pyridazin-3-yl]-2,6-dimethylmorpholine is CC1CN(c2ccc(CCl)nn2)CC(C)O1.
What is the InChIKey of 4-[6-(chloromethyl)pyridazin-3-yl]-2,6-dimethylmorpholine?
The InChIKey is ARADUHZZUYWQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-6-15(7-9(2)16-8)11-4-3-10(5-12)13-14-11/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of 4-[6-(chloromethyl)pyridazin-3-yl]-2,6-dimethylmorpholine?
4-[6-(chloromethyl)pyridazin-3-yl]-2,6-dimethylmorpholine has a molecular weight of 241.72 g/mol, XLogP of 1.83, 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]-2,6-dimethylmorpholine is sourced from PubChem (CID 61257804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).