N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide

C9H11N3O3S — CID 110852783

IUPACN-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cccnn1
InChIInChI=1S/C9H11N3O3S/c13-9(8-2-1-4-10-12-8)11-7-3-5-16(14,15)6-7/h1-2,4,7H,3,5-6H2,(H,11,13)
InChIKeyLADLUZYKSWMKPN-UHFFFAOYSA-N
MW241.27 g/mol
LogP-0.61
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide

N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide (PubChem CID 110852783) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
PubChem CID110852783
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC NameN-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cccnn1
InChIInChI=1S/C9H11N3O3S/c13-9(8-2-1-4-10-12-8)11-7-3-5-16(14,15)6-7/h1-2,4,7H,3,5-6H2,(H,11,13)
InChIKeyLADLUZYKSWMKPN-UHFFFAOYSA-N
XLogP-0.61
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxycyclohexyl)pyridazine-3-carboxamide
CID 141460592
N-[4-(difluoromethyl)cyclohexyl]pyridazine-3-carboxamide
CID 136555200
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
CID 6595863
N-(1,1-dioxothiolan-3-yl)cinnoline-3-carboxamide
CID 110705072
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide
CID 103749000
N-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30789067
6-N-(1,1-dioxothiolan-3-yl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109098728
N-[(3S)-1,1-dioxothiolan-3-yl]-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide
CID 95741077
N-(1,1-dioxothiolan-3-yl)-1,3-oxazole-4-carboxamide
CID 110689494
N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109193031
N-(1,1-dioxothiolan-3-yl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113749

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide (CID 110852783) is N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1cccnn1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide?
The InChIKey is LADLUZYKSWMKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c13-9(8-2-1-4-10-12-8)11-7-3-5-16(14,15)6-7/h1-2,4,7H,3,5-6H2,(H,11,13).
What are the key properties of N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide has a molecular weight of 241.27 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 110852783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).