6-chloro-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-one

C10H14ClN3O2 — CID 90456286

IUPAC6-chloro-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-one
SMILESC[C@H]1COCCN1c1cc(Cl)nn(C)c1=O
InChIInChI=1S/C10H14ClN3O2/c1-7-6-16-4-3-14(7)8-5-9(11)12-13(2)10(8)15/h5,7H,3-4,6H2,1-2H3/t7-/m0/s1
InChIKeyDDSZBXXHTPHPAZ-ZETCQYMHSA-N
MW243.69 g/mol
LogP0.66
Rot. Bonds1

About 6-chloro-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-one

6-chloro-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-one (PubChem CID 90456286) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 6-chloro-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-one
PubChem CID90456286
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name6-chloro-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-one
SMILESC[C@H]1COCCN1c1cc(Cl)nn(C)c1=O
InChIInChI=1S/C10H14ClN3O2/c1-7-6-16-4-3-14(7)8-5-9(11)12-13(2)10(8)15/h5,7H,3-4,6H2,1-2H3/t7-/m0/s1
InChIKeyDDSZBXXHTPHPAZ-ZETCQYMHSA-N
XLogP0.66
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-one?
The IUPAC name of 6-chloro-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-one (CID 90456286) is 6-chloro-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-one.
What is the SMILES notation for 6-chloro-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-one?
The canonical SMILES for 6-chloro-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-one is C[C@H]1COCCN1c1cc(Cl)nn(C)c1=O.
What is the InChIKey of 6-chloro-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-one?
The InChIKey is DDSZBXXHTPHPAZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-7-6-16-4-3-14(7)8-5-9(11)12-13(2)10(8)15/h5,7H,3-4,6H2,1-2H3/t7-/m0/s1.
What are the key properties of 6-chloro-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-one?
6-chloro-2-methyl-4-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-one has a molecular weight of 243.69 g/mol, XLogP of 0.66, 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-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-one is sourced from PubChem (CID 90456286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).