2-(6-chloropyridazin-3-yl)-2,3-dimethylmorpholine

C10H14ClN3O — CID 88528514

IUPAC2-(6-chloropyridazin-3-yl)-2,3-dimethylmorpholine
SMILESCC1NCCOC1(C)c1ccc(Cl)nn1
InChIInChI=1S/C10H14ClN3O/c1-7-10(2,15-6-5-12-7)8-3-4-9(11)14-13-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyYXYQRMDDVCJJCT-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.35
Rot. Bonds1

About 2-(6-chloropyridazin-3-yl)-2,3-dimethylmorpholine

2-(6-chloropyridazin-3-yl)-2,3-dimethylmorpholine (PubChem CID 88528514) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-(6-chloropyridazin-3-yl)-2,3-dimethylmorpholine.

Molecular Properties

Compound Name2-(6-chloropyridazin-3-yl)-2,3-dimethylmorpholine
PubChem CID88528514
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-(6-chloropyridazin-3-yl)-2,3-dimethylmorpholine
SMILESCC1NCCOC1(C)c1ccc(Cl)nn1
InChIInChI=1S/C10H14ClN3O/c1-7-10(2,15-6-5-12-7)8-3-4-9(11)14-13-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyYXYQRMDDVCJJCT-UHFFFAOYSA-N
XLogP1.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyridazin-3-yl)-2,3-dimethylmorpholine?
The IUPAC name of 2-(6-chloropyridazin-3-yl)-2,3-dimethylmorpholine (CID 88528514) is 2-(6-chloropyridazin-3-yl)-2,3-dimethylmorpholine.
What is the SMILES notation for 2-(6-chloropyridazin-3-yl)-2,3-dimethylmorpholine?
The canonical SMILES for 2-(6-chloropyridazin-3-yl)-2,3-dimethylmorpholine is CC1NCCOC1(C)c1ccc(Cl)nn1.
What is the InChIKey of 2-(6-chloropyridazin-3-yl)-2,3-dimethylmorpholine?
The InChIKey is YXYQRMDDVCJJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-10(2,15-6-5-12-7)8-3-4-9(11)14-13-8/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 2-(6-chloropyridazin-3-yl)-2,3-dimethylmorpholine?
2-(6-chloropyridazin-3-yl)-2,3-dimethylmorpholine has a molecular weight of 227.69 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyridazin-3-yl)-2,3-dimethylmorpholine is sourced from PubChem (CID 88528514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).