7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzothiazin-3-one

C13H13N3O2S — CID 14230060

IUPAC7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzothiazin-3-one
SMILESCC1CC(=O)NN=C1c1ccc2c(c1)SCC(=O)N2
InChIInChI=1S/C13H13N3O2S/c1-7-4-11(17)15-16-13(7)8-2-3-9-10(5-8)19-6-12(18)14-9/h2-3,5,7H,4,6H2,1H3,(H,14,18)(H,15,17)
InChIKeyQFGQQAIBUBTSIA-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.59
Rot. Bonds1

About 7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzothiazin-3-one

7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzothiazin-3-one (PubChem CID 14230060) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzothiazin-3-one
PubChem CID14230060
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzothiazin-3-one
SMILESCC1CC(=O)NN=C1c1ccc2c(c1)SCC(=O)N2
InChIInChI=1S/C13H13N3O2S/c1-7-4-11(17)15-16-13(7)8-2-3-9-10(5-8)19-6-12(18)14-9/h2-3,5,7H,4,6H2,1H3,(H,14,18)(H,15,17)
InChIKeyQFGQQAIBUBTSIA-UHFFFAOYSA-N
XLogP1.59
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzothiazin-3-one?
The IUPAC name of 7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzothiazin-3-one (CID 14230060) is 7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzothiazin-3-one is CC1CC(=O)NN=C1c1ccc2c(c1)SCC(=O)N2.
What is the InChIKey of 7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzothiazin-3-one?
The InChIKey is QFGQQAIBUBTSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-7-4-11(17)15-16-13(7)8-2-3-9-10(5-8)19-6-12(18)14-9/h2-3,5,7H,4,6H2,1H3,(H,14,18)(H,15,17).
What are the key properties of 7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzothiazin-3-one?
7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzothiazin-3-one has a molecular weight of 275.33 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 14230060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).