3-(4-methylsulfonylphenyl)-4,5-dihydro-1H-pyridazin-6-one;1H-pyridazin-6-one

C15H16N4O4S — CID 67695497

IUPAC3-(4-methylsulfonylphenyl)-4,5-dihydro-1H-pyridazin-6-one;1H-pyridazin-6-one
SMILESCS(=O)(=O)c1ccc(C2=NNC(=O)CC2)cc1.O=c1cccn[nH]1
InChIInChI=1S/C11H12N2O3S.C4H4N2O/c1-17(15,16)9-4-2-8(3-5-9)10-6-7-11(14)13-12-10;7-4-2-1-3-5-6-4/h2-5H,6-7H2,1H3,(H,13,14);1-3H,(H,6,7)
InChIKeyGERPLJXMQMRTJV-UHFFFAOYSA-N
MW348.38 g/mol
LogP0.47
Rot. Bonds2

About 3-(4-methylsulfonylphenyl)-4,5-dihydro-1H-pyridazin-6-one;1H-pyridazin-6-one

3-(4-methylsulfonylphenyl)-4,5-dihydro-1H-pyridazin-6-one;1H-pyridazin-6-one (PubChem CID 67695497) has the molecular formula C15H16N4O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-4,5-dihydro-1H-pyridazin-6-one;1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-4,5-dihydro-1H-pyridazin-6-one;1H-pyridazin-6-one
PubChem CID67695497
Molecular FormulaC15H16N4O4S
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name3-(4-methylsulfonylphenyl)-4,5-dihydro-1H-pyridazin-6-one;1H-pyridazin-6-one
SMILESCS(=O)(=O)c1ccc(C2=NNC(=O)CC2)cc1.O=c1cccn[nH]1
InChIInChI=1S/C11H12N2O3S.C4H4N2O/c1-17(15,16)9-4-2-8(3-5-9)10-6-7-11(14)13-12-10;7-4-2-1-3-5-6-4/h2-5H,6-7H2,1H3,(H,13,14);1-3H,(H,6,7)
InChIKeyGERPLJXMQMRTJV-UHFFFAOYSA-N
XLogP0.47
TPSA121.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(4-methylsulfonylphenyl)-4,5-dihydro-1H-pyridazin-6-one;1H-pyridazin-6-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 3-(4-methylsulfonylphenyl)-4,5-dihydro-1H-pyridazin-6-one;1H-pyridazin-6-one?
The IUPAC name of 3-(4-methylsulfonylphenyl)-4,5-dihydro-1H-pyridazin-6-one;1H-pyridazin-6-one (CID 67695497) is 3-(4-methylsulfonylphenyl)-4,5-dihydro-1H-pyridazin-6-one;1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-4,5-dihydro-1H-pyridazin-6-one;1H-pyridazin-6-one?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-4,5-dihydro-1H-pyridazin-6-one;1H-pyridazin-6-one is CS(=O)(=O)c1ccc(C2=NNC(=O)CC2)cc1.O=c1cccn[nH]1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-4,5-dihydro-1H-pyridazin-6-one;1H-pyridazin-6-one?
The InChIKey is GERPLJXMQMRTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S.C4H4N2O/c1-17(15,16)9-4-2-8(3-5-9)10-6-7-11(14)13-12-10;7-4-2-1-3-5-6-4/h2-5H,6-7H2,1H3,(H,13,14);1-3H,(H,6,7).
What are the key properties of 3-(4-methylsulfonylphenyl)-4,5-dihydro-1H-pyridazin-6-one;1H-pyridazin-6-one?
3-(4-methylsulfonylphenyl)-4,5-dihydro-1H-pyridazin-6-one;1H-pyridazin-6-one has a molecular weight of 348.38 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)-4,5-dihydro-1H-pyridazin-6-one;1H-pyridazin-6-one is sourced from PubChem (CID 67695497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).