2-phenyl-6-(thiomorpholine-4-carbonyl)-4,5-dihydropyridazin-3-one

C15H17N3O2S — CID 53499713

IUPAC2-phenyl-6-(thiomorpholine-4-carbonyl)-4,5-dihydropyridazin-3-one
SMILESO=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCSCC1
InChIInChI=1S/C15H17N3O2S/c19-14-7-6-13(15(20)17-8-10-21-11-9-17)16-18(14)12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyLQFLEJPKLWAUIH-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.74
Rot. Bonds2

About 2-phenyl-6-(thiomorpholine-4-carbonyl)-4,5-dihydropyridazin-3-one

2-phenyl-6-(thiomorpholine-4-carbonyl)-4,5-dihydropyridazin-3-one (PubChem CID 53499713) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-phenyl-6-(thiomorpholine-4-carbonyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-phenyl-6-(thiomorpholine-4-carbonyl)-4,5-dihydropyridazin-3-one
PubChem CID53499713
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-phenyl-6-(thiomorpholine-4-carbonyl)-4,5-dihydropyridazin-3-one
SMILESO=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCSCC1
InChIInChI=1S/C15H17N3O2S/c19-14-7-6-13(15(20)17-8-10-21-11-9-17)16-18(14)12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyLQFLEJPKLWAUIH-UHFFFAOYSA-N
XLogP1.74
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)piperidine-4-carboxylic acid
CID 119250734
6-(4-benzoylpiperidine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one
CID 24682928
6-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one
CID 3823732
6-(4-cyclohexylpiperazine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one
CID 3997617
6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one
CID 3779207
2-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 941442
6-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one
CID 3668110
2-(4-chlorophenyl)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 4672455
6-(4-benzylpiperidine-1-carbonyl)-2-(4-bromophenyl)-4,5-dihydropyridazin-3-one
CID 3816156
6-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3978494
6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3662289
2-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 3931520

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(thiomorpholine-4-carbonyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-phenyl-6-(thiomorpholine-4-carbonyl)-4,5-dihydropyridazin-3-one (CID 53499713) is 2-phenyl-6-(thiomorpholine-4-carbonyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-phenyl-6-(thiomorpholine-4-carbonyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-phenyl-6-(thiomorpholine-4-carbonyl)-4,5-dihydropyridazin-3-one is O=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCSCC1.
What is the InChIKey of 2-phenyl-6-(thiomorpholine-4-carbonyl)-4,5-dihydropyridazin-3-one?
The InChIKey is LQFLEJPKLWAUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-14-7-6-13(15(20)17-8-10-21-11-9-17)16-18(14)12-4-2-1-3-5-12/h1-5H,6-11H2.
What are the key properties of 2-phenyl-6-(thiomorpholine-4-carbonyl)-4,5-dihydropyridazin-3-one?
2-phenyl-6-(thiomorpholine-4-carbonyl)-4,5-dihydropyridazin-3-one has a molecular weight of 303.39 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(thiomorpholine-4-carbonyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 53499713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).