N-(3-methyl-1,1-dioxothiolan-3-yl)-6-oxo-1H-pyridazine-3-carboxamide

C10H13N3O4S — CID 42915483

IUPACN-(3-methyl-1,1-dioxothiolan-3-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC1(NC(=O)c2ccc(=O)[nH]n2)CCS(=O)(=O)C1
InChIInChI=1S/C10H13N3O4S/c1-10(4-5-18(16,17)6-10)11-9(15)7-2-3-8(14)13-12-7/h2-3H,4-6H2,1H3,(H,11,15)(H,13,14)
InChIKeyYKAXXOLPTAEIOE-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.92
Rot. Bonds2

About N-(3-methyl-1,1-dioxothiolan-3-yl)-6-oxo-1H-pyridazine-3-carboxamide

N-(3-methyl-1,1-dioxothiolan-3-yl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 42915483) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is N-(3-methyl-1,1-dioxothiolan-3-yl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,1-dioxothiolan-3-yl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID42915483
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC NameN-(3-methyl-1,1-dioxothiolan-3-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC1(NC(=O)c2ccc(=O)[nH]n2)CCS(=O)(=O)C1
InChIInChI=1S/C10H13N3O4S/c1-10(4-5-18(16,17)6-10)11-9(15)7-2-3-8(14)13-12-7/h2-3H,4-6H2,1H3,(H,11,15)(H,13,14)
InChIKeyYKAXXOLPTAEIOE-UHFFFAOYSA-N
XLogP-0.92
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-1,1-dioxothiolan-3-yl)-2H-triazole-4-carboxamide
CID 112733233
5-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide
CID 43020385
1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716553
6-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
CID 62240532
6-(ethylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 62174844
5-(aminomethyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
CID 63722542
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 94014684
5-carbamothioyl-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
CID 63748853
5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 60722078
N-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30789067
N-[1-(bromomethyl)cyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 114040994

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-6-oxo-1H-pyridazine-3-carboxamide (CID 42915483) is N-(3-methyl-1,1-dioxothiolan-3-yl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-1,1-dioxothiolan-3-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3-methyl-1,1-dioxothiolan-3-yl)-6-oxo-1H-pyridazine-3-carboxamide is CC1(NC(=O)c2ccc(=O)[nH]n2)CCS(=O)(=O)C1.
What is the InChIKey of N-(3-methyl-1,1-dioxothiolan-3-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is YKAXXOLPTAEIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-10(4-5-18(16,17)6-10)11-9(15)7-2-3-8(14)13-12-7/h2-3H,4-6H2,1H3,(H,11,15)(H,13,14).
What are the key properties of N-(3-methyl-1,1-dioxothiolan-3-yl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(3-methyl-1,1-dioxothiolan-3-yl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 271.30 g/mol, XLogP of -0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,1-dioxothiolan-3-yl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 42915483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).