2-[[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-6-phenyl-4,5-dihydropyridazin-3-one

C19H26N4O3S — CID 96557174

IUPAC2-[[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-6-phenyl-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccccc2)=NN1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C19H26N4O3S/c24-19-7-6-18(16-4-2-1-3-5-16)20-23(19)15-21-9-11-22(12-10-21)17-8-13-27(25,26)14-17/h1-5,17H,6-15H2/t17-/m1/s1
InChIKeyMWNSVZBPQIOOIP-QGZVFWFLSA-N
MW390.51 g/mol
LogP0.78
Rot. Bonds4

About 2-[[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-6-phenyl-4,5-dihydropyridazin-3-one

2-[[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-6-phenyl-4,5-dihydropyridazin-3-one (PubChem CID 96557174) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-6-phenyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-[[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-6-phenyl-4,5-dihydropyridazin-3-one
PubChem CID96557174
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name2-[[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-6-phenyl-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccccc2)=NN1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C19H26N4O3S/c24-19-7-6-18(16-4-2-1-3-5-16)20-23(19)15-21-9-11-22(12-10-21)17-8-13-27(25,26)14-17/h1-5,17H,6-15H2/t17-/m1/s1
InChIKeyMWNSVZBPQIOOIP-QGZVFWFLSA-N
XLogP0.78
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-6-phenyl-4,5-dihydropyridazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-6-phenylpyridazin-3-one
CID 94663619
2-[[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione
CID 30670659
2-[[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-3-thione
CID 92763186
3-[4-[(Z)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 84593330
4,5-dichloro-2-[[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methyl]pyridazin-3-one
CID 22829830
(3S)-3-[4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 30693470
2-[[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole-3-thione
CID 30635627
6-(4-benzylpiperazine-1-carbonyl)-2-(1,1-dioxothiolan-3-yl)-4,5-dihydropyridazin-3-one
CID 42906130
2-[[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 96556945
2-[[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 71710584
8-[[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-7-hydroxy-2-methyl-3-phenylchromen-4-one
CID 30013804
(3R)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 8971441

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-[[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-6-phenyl-4,5-dihydropyridazin-3-one (CID 96557174) is 2-[[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-6-phenyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-[[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-[[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-6-phenyl-4,5-dihydropyridazin-3-one is O=C1CCC(c2ccccc2)=NN1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 2-[[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The InChIKey is MWNSVZBPQIOOIP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N4O3S/c24-19-7-6-18(16-4-2-1-3-5-16)20-23(19)15-21-9-11-22(12-10-21)17-8-13-27(25,26)14-17/h1-5,17H,6-15H2/t17-/m1/s1.
What are the key properties of 2-[[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-6-phenyl-4,5-dihydropyridazin-3-one?
2-[[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-6-phenyl-4,5-dihydropyridazin-3-one has a molecular weight of 390.51 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-6-phenyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 96557174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).