2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[[3-(dimethylamino)thiolan-3-yl]methyl]acetamide

C15H25N5O2S — CID 45211558

IUPAC2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[[3-(dimethylamino)thiolan-3-yl]methyl]acetamide
SMILESCN(C)c1cnn(CC(=O)NCC2(N(C)C)CCSC2)c(=O)c1
InChIInChI=1S/C15H25N5O2S/c1-18(2)12-7-14(22)20(17-8-12)9-13(21)16-10-15(19(3)4)5-6-23-11-15/h7-8H,5-6,9-11H2,1-4H3,(H,16,21)
InChIKeyRLINBBFTCFODLD-UHFFFAOYSA-N
MW339.47 g/mol
LogP-0.14
Rot. Bonds6

About 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[[3-(dimethylamino)thiolan-3-yl]methyl]acetamide

2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[[3-(dimethylamino)thiolan-3-yl]methyl]acetamide (PubChem CID 45211558) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[[3-(dimethylamino)thiolan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[[3-(dimethylamino)thiolan-3-yl]methyl]acetamide
PubChem CID45211558
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC Name2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[[3-(dimethylamino)thiolan-3-yl]methyl]acetamide
SMILESCN(C)c1cnn(CC(=O)NCC2(N(C)C)CCSC2)c(=O)c1
InChIInChI=1S/C15H25N5O2S/c1-18(2)12-7-14(22)20(17-8-12)9-13(21)16-10-15(19(3)4)5-6-23-11-15/h7-8H,5-6,9-11H2,1-4H3,(H,16,21)
InChIKeyRLINBBFTCFODLD-UHFFFAOYSA-N
XLogP-0.14
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[[3-(dimethylamino)thiolan-3-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cyclohexylthio)ethyl]-2-[4-(dimethylamino)-6-oxo-1(6H)-pyridazinyl]acetamide
CID 28954107
5-[3-(aminomethyl)pyrrolidin-1-yl]-2-[2-(ethylthio)ethyl]pyridazin-3(2H)-one
CID 45220667
2-[6-oxo-4-(1-pyrrolidinyl)-1(6H)-pyridazinyl]-N-(tetrahydro-3-thienyl)acetamide
CID 45222982
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(propylthio)acetamide
CID 70714510
N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide
CID 96367928
N-[[(3R)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide
CID 96367929
5-(2-Aminoethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one
CID 103221048
5-(2-Aminoethylamino)-2-(3-methylsulfanylpropyl)pyridazin-3-one
CID 103221152
5-(2-Aminoethylamino)-2-(3-ethylsulfanylpropyl)pyridazin-3-one
CID 103221311
5-[2-Aminoethyl(methyl)amino]-2-(2-ethylsulfanylethyl)pyridazin-3-one
CID 103223368
2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 103223412
5-[2-Aminoethyl(methyl)amino]-2-(3-methylsulfanylpropyl)pyridazin-3-one
CID 103223428

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[[3-(dimethylamino)thiolan-3-yl]methyl]acetamide?
The IUPAC name of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[[3-(dimethylamino)thiolan-3-yl]methyl]acetamide (CID 45211558) is 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[[3-(dimethylamino)thiolan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[[3-(dimethylamino)thiolan-3-yl]methyl]acetamide?
The canonical SMILES for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[[3-(dimethylamino)thiolan-3-yl]methyl]acetamide is CN(C)c1cnn(CC(=O)NCC2(N(C)C)CCSC2)c(=O)c1.
What is the InChIKey of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[[3-(dimethylamino)thiolan-3-yl]methyl]acetamide?
The InChIKey is RLINBBFTCFODLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-18(2)12-7-14(22)20(17-8-12)9-13(21)16-10-15(19(3)4)5-6-23-11-15/h7-8H,5-6,9-11H2,1-4H3,(H,16,21).
What are the key properties of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[[3-(dimethylamino)thiolan-3-yl]methyl]acetamide?
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[[3-(dimethylamino)thiolan-3-yl]methyl]acetamide has a molecular weight of 339.47 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[[3-(dimethylamino)thiolan-3-yl]methyl]acetamide is sourced from PubChem (CID 45211558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).