4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyridazin-6-one

C9H13N3O3S — CID 102888056

IUPAC4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyridazin-6-one
SMILESCC1CS(=O)(=O)CCN1c1cn[nH]c(=O)c1
InChIInChI=1S/C9H13N3O3S/c1-7-6-16(14,15)3-2-12(7)8-4-9(13)11-10-5-8/h4-5,7H,2-3,6H2,1H3,(H,11,13)
InChIKeyISOGOFHNWRGXNN-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.61
Rot. Bonds1

About 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyridazin-6-one

4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyridazin-6-one (PubChem CID 102888056) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyridazin-6-one
PubChem CID102888056
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyridazin-6-one
SMILESCC1CS(=O)(=O)CCN1c1cn[nH]c(=O)c1
InChIInChI=1S/C9H13N3O3S/c1-7-6-16(14,15)3-2-12(7)8-4-9(13)11-10-5-8/h4-5,7H,2-3,6H2,1H3,(H,11,13)
InChIKeyISOGOFHNWRGXNN-UHFFFAOYSA-N
XLogP-0.61
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-2-(3-ethylsulfonylpropyl)pyridazin-3-one
CID 103218262
5-Amino-2-(3-methylsulfonylpropyl)pyridazin-3-one
CID 103218404
2-(3-Ethylsulfonylpropyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219402
4-(1,1-dioxo-1,4-thiazepan-4-yl)-1H-pyridazin-6-one
CID 105565317
4-(2-ethylsulfonylethylamino)-1H-pyridazin-6-one
CID 105789681
5-Amino-2-(2-propan-2-ylsulfonylethyl)pyridazin-3-one
CID 106736994
5-Amino-2-(2-propylsulfonylethyl)pyridazin-3-one
CID 106736995
5-Amino-2-(2-tert-butylsulfonylethyl)pyridazin-3-one
CID 106736996
5-Amino-2-(2-ethylsulfonylethyl)pyridazin-3-one
CID 106736997
5-(Methylamino)-2-(2-propylsulfonylethyl)pyridazin-3-one
CID 106736998
2-(2-Ethylsulfonylethyl)-5-(methylamino)pyridazin-3-one
CID 106737000
5-(Ethylamino)-2-(2-propylsulfonylethyl)pyridazin-3-one
CID 106737001

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyridazin-6-one?
The IUPAC name of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyridazin-6-one (CID 102888056) is 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyridazin-6-one is CC1CS(=O)(=O)CCN1c1cn[nH]c(=O)c1.
What is the InChIKey of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyridazin-6-one?
The InChIKey is ISOGOFHNWRGXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-7-6-16(14,15)3-2-12(7)8-4-9(13)11-10-5-8/h4-5,7H,2-3,6H2,1H3,(H,11,13).
What are the key properties of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyridazin-6-one?
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyridazin-6-one has a molecular weight of 243.29 g/mol, XLogP of -0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 102888056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).