2-chloro-6-methyl-4-pyridazin-4-ylmorpholine

C9H12ClN3O — CID 174890515

IUPAC2-chloro-6-methyl-4-pyridazin-4-ylmorpholine
SMILESCC1CN(c2ccnnc2)CC(Cl)O1
InChIInChI=1S/C9H12ClN3O/c1-7-5-13(6-9(10)14-7)8-2-3-11-12-4-8/h2-4,7,9H,5-6H2,1H3
InChIKeyHOKUXKUYJMTNCV-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.27
Rot. Bonds1

About 2-chloro-6-methyl-4-pyridazin-4-ylmorpholine

2-chloro-6-methyl-4-pyridazin-4-ylmorpholine (PubChem CID 174890515) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-pyridazin-4-ylmorpholine.

Molecular Properties

Compound Name2-chloro-6-methyl-4-pyridazin-4-ylmorpholine
PubChem CID174890515
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name2-chloro-6-methyl-4-pyridazin-4-ylmorpholine
SMILESCC1CN(c2ccnnc2)CC(Cl)O1
InChIInChI=1S/C9H12ClN3O/c1-7-5-13(6-9(10)14-7)8-2-3-11-12-4-8/h2-4,7,9H,5-6H2,1H3
InChIKeyHOKUXKUYJMTNCV-UHFFFAOYSA-N
XLogP1.27
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.27
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 2-chloro-6-methyl-4-pyridazin-4-ylmorpholine?
The IUPAC name of 2-chloro-6-methyl-4-pyridazin-4-ylmorpholine (CID 174890515) is 2-chloro-6-methyl-4-pyridazin-4-ylmorpholine.
What is the SMILES notation for 2-chloro-6-methyl-4-pyridazin-4-ylmorpholine?
The canonical SMILES for 2-chloro-6-methyl-4-pyridazin-4-ylmorpholine is CC1CN(c2ccnnc2)CC(Cl)O1.
What is the InChIKey of 2-chloro-6-methyl-4-pyridazin-4-ylmorpholine?
The InChIKey is HOKUXKUYJMTNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-7-5-13(6-9(10)14-7)8-2-3-11-12-4-8/h2-4,7,9H,5-6H2,1H3.
What are the key properties of 2-chloro-6-methyl-4-pyridazin-4-ylmorpholine?
2-chloro-6-methyl-4-pyridazin-4-ylmorpholine has a molecular weight of 213.67 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-pyridazin-4-ylmorpholine is sourced from PubChem (CID 174890515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).