5-(2,2-dimethylthiomorpholine-4-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one

C13H19N3O2S — CID 75424859

IUPAC5-(2,2-dimethylthiomorpholine-4-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C(=O)N2CCSC(C)(C)C2)c1C
InChIInChI=1S/C13H19N3O2S/c1-8-9(2)14-15-11(17)10(8)12(18)16-5-6-19-13(3,4)7-16/h5-7H2,1-4H3,(H,15,17)
InChIKeyNFKBHAASIQACAJ-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.35
Rot. Bonds1

About 5-(2,2-dimethylthiomorpholine-4-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one

5-(2,2-dimethylthiomorpholine-4-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one (PubChem CID 75424859) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-(2,2-dimethylthiomorpholine-4-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(2,2-dimethylthiomorpholine-4-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one
PubChem CID75424859
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name5-(2,2-dimethylthiomorpholine-4-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C(=O)N2CCSC(C)(C)C2)c1C
InChIInChI=1S/C13H19N3O2S/c1-8-9(2)14-15-11(17)10(8)12(18)16-5-6-19-13(3,4)7-16/h5-7H2,1-4H3,(H,15,17)
InChIKeyNFKBHAASIQACAJ-UHFFFAOYSA-N
XLogP1.35
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylthiomorpholine-4-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one?
The IUPAC name of 5-(2,2-dimethylthiomorpholine-4-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one (CID 75424859) is 5-(2,2-dimethylthiomorpholine-4-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(2,2-dimethylthiomorpholine-4-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one?
The canonical SMILES for 5-(2,2-dimethylthiomorpholine-4-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one is Cc1n[nH]c(=O)c(C(=O)N2CCSC(C)(C)C2)c1C.
What is the InChIKey of 5-(2,2-dimethylthiomorpholine-4-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one?
The InChIKey is NFKBHAASIQACAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-8-9(2)14-15-11(17)10(8)12(18)16-5-6-19-13(3,4)7-16/h5-7H2,1-4H3,(H,15,17).
What are the key properties of 5-(2,2-dimethylthiomorpholine-4-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one?
5-(2,2-dimethylthiomorpholine-4-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one has a molecular weight of 281.38 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 5-(2,2-dimethylthiomorpholine-4-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one is sourced from PubChem (CID 75424859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).