4-[(6-chloropyridazin-3-yl)methyl]morpholine

C9H12ClN3O — CID 104513452

IUPAC4-[(6-chloropyridazin-3-yl)methyl]morpholine
SMILESClc1ccc(CN2CCOCC2)nn1
InChIInChI=1S/C9H12ClN3O/c10-9-2-1-8(11-12-9)7-13-3-5-14-6-4-13/h1-2H,3-7H2
InChIKeyDFJKCOSBOBZQOX-UHFFFAOYSA-N
MW213.67 g/mol
LogP0.96
Rot. Bonds2

About 4-[(6-chloropyridazin-3-yl)methyl]morpholine

4-[(6-chloropyridazin-3-yl)methyl]morpholine (PubChem CID 104513452) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 4-[(6-chloropyridazin-3-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(6-chloropyridazin-3-yl)methyl]morpholine
PubChem CID104513452
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name4-[(6-chloropyridazin-3-yl)methyl]morpholine
SMILESClc1ccc(CN2CCOCC2)nn1
InChIInChI=1S/C9H12ClN3O/c10-9-2-1-8(11-12-9)7-13-3-5-14-6-4-13/h1-2H,3-7H2
InChIKeyDFJKCOSBOBZQOX-UHFFFAOYSA-N
XLogP0.96
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloropyridazin-3-yl)methyl]morpholine?
The IUPAC name of 4-[(6-chloropyridazin-3-yl)methyl]morpholine (CID 104513452) is 4-[(6-chloropyridazin-3-yl)methyl]morpholine.
What is the SMILES notation for 4-[(6-chloropyridazin-3-yl)methyl]morpholine?
The canonical SMILES for 4-[(6-chloropyridazin-3-yl)methyl]morpholine is Clc1ccc(CN2CCOCC2)nn1.
What is the InChIKey of 4-[(6-chloropyridazin-3-yl)methyl]morpholine?
The InChIKey is DFJKCOSBOBZQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-9-2-1-8(11-12-9)7-13-3-5-14-6-4-13/h1-2H,3-7H2.
What are the key properties of 4-[(6-chloropyridazin-3-yl)methyl]morpholine?
4-[(6-chloropyridazin-3-yl)methyl]morpholine has a molecular weight of 213.67 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloropyridazin-3-yl)methyl]morpholine is sourced from PubChem (CID 104513452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).