[6-(ethylamino)pyridazin-3-yl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

C12H18N4O3S — CID 102886319

IUPAC[6-(ethylamino)pyridazin-3-yl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCCNc1ccc(C(=O)N2CCS(=O)(=O)CC2C)nn1
InChIInChI=1S/C12H18N4O3S/c1-3-13-11-5-4-10(14-15-11)12(17)16-6-7-20(18,19)8-9(16)2/h4-5,9H,3,6-8H2,1-2H3,(H,13,15)
InChIKeyZPFGBSFQAFNPSA-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.17
Rot. Bonds3

About [6-(ethylamino)pyridazin-3-yl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

[6-(ethylamino)pyridazin-3-yl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 102886319) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is [6-(ethylamino)pyridazin-3-yl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name[6-(ethylamino)pyridazin-3-yl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID102886319
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name[6-(ethylamino)pyridazin-3-yl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCCNc1ccc(C(=O)N2CCS(=O)(=O)CC2C)nn1
InChIInChI=1S/C12H18N4O3S/c1-3-13-11-5-4-10(14-15-11)12(17)16-6-7-20(18,19)8-9(16)2/h4-5,9H,3,6-8H2,1-2H3,(H,13,15)
InChIKeyZPFGBSFQAFNPSA-UHFFFAOYSA-N
XLogP0.17
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-(ethylamino)pyridazin-3-yl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone with MolForge

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Related Compounds

(6-hydrazinylpyridazin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102886401
[2-(ethylamino)-6-methyl-4-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102886300
[6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 62172058
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)phenyl]methanone
CID 102886340
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[6-(ethylamino)pyridazin-3-yl]methanone
CID 62889950
(3-methylmorpholin-4-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 62169207
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 102886346
(4-chloro-2-pyridinyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 113239864
[4-(methylamino)-3-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102886333
[6-(ethylamino)pyridazin-3-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538464
6-(ethylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 62174844
[6-(ethylamino)pyridazin-3-yl]-(2-ethylmorpholin-4-yl)methanone
CID 62168371

Frequently Asked Questions

What is the IUPAC name of [6-(ethylamino)pyridazin-3-yl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of [6-(ethylamino)pyridazin-3-yl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 102886319) is [6-(ethylamino)pyridazin-3-yl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for [6-(ethylamino)pyridazin-3-yl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for [6-(ethylamino)pyridazin-3-yl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is CCNc1ccc(C(=O)N2CCS(=O)(=O)CC2C)nn1.
What is the InChIKey of [6-(ethylamino)pyridazin-3-yl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is ZPFGBSFQAFNPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-3-13-11-5-4-10(14-15-11)12(17)16-6-7-20(18,19)8-9(16)2/h4-5,9H,3,6-8H2,1-2H3,(H,13,15).
What are the key properties of [6-(ethylamino)pyridazin-3-yl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
[6-(ethylamino)pyridazin-3-yl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 298.37 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(ethylamino)pyridazin-3-yl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 102886319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).