6-chloro-2-methyl-4-morpholin-4-ylpyridazin-3-one

C9H12ClN3O2 — CID 90410078

IUPAC6-chloro-2-methyl-4-morpholin-4-ylpyridazin-3-one
SMILESCn1nc(Cl)cc(N2CCOCC2)c1=O
InChIInChI=1S/C9H12ClN3O2/c1-12-9(14)7(6-8(10)11-12)13-2-4-15-5-3-13/h6H,2-5H2,1H3
InChIKeyQFZHISBLDVHMKQ-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.27
Rot. Bonds1

About 6-chloro-2-methyl-4-morpholin-4-ylpyridazin-3-one

6-chloro-2-methyl-4-morpholin-4-ylpyridazin-3-one (PubChem CID 90410078) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 6-chloro-2-methyl-4-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-methyl-4-morpholin-4-ylpyridazin-3-one
PubChem CID90410078
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name6-chloro-2-methyl-4-morpholin-4-ylpyridazin-3-one
SMILESCn1nc(Cl)cc(N2CCOCC2)c1=O
InChIInChI=1S/C9H12ClN3O2/c1-12-9(14)7(6-8(10)11-12)13-2-4-15-5-3-13/h6H,2-5H2,1H3
InChIKeyQFZHISBLDVHMKQ-UHFFFAOYSA-N
XLogP0.27
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-methyl-4-morpholin-4-ylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-4-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 6-chloro-2-methyl-4-morpholin-4-ylpyridazin-3-one (CID 90410078) is 6-chloro-2-methyl-4-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 6-chloro-2-methyl-4-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 6-chloro-2-methyl-4-morpholin-4-ylpyridazin-3-one is Cn1nc(Cl)cc(N2CCOCC2)c1=O.
What is the InChIKey of 6-chloro-2-methyl-4-morpholin-4-ylpyridazin-3-one?
The InChIKey is QFZHISBLDVHMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-12-9(14)7(6-8(10)11-12)13-2-4-15-5-3-13/h6H,2-5H2,1H3.
What are the key properties of 6-chloro-2-methyl-4-morpholin-4-ylpyridazin-3-one?
6-chloro-2-methyl-4-morpholin-4-ylpyridazin-3-one has a molecular weight of 229.67 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-4-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 90410078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).