N-(1,1-dioxothian-4-yl)-6-oxo-1H-pyridazine-3-carboxamide

C10H13N3O4S — CID 113223754

IUPACN-(1,1-dioxothian-4-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H13N3O4S/c14-9-2-1-8(12-13-9)10(15)11-7-3-5-18(16,17)6-4-7/h1-2,7H,3-6H2,(H,11,15)(H,13,14)
InChIKeyBGDWTAMSMHVDFX-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.92
Rot. Bonds2

About N-(1,1-dioxothian-4-yl)-6-oxo-1H-pyridazine-3-carboxamide

N-(1,1-dioxothian-4-yl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 113223754) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID113223754
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC NameN-(1,1-dioxothian-4-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H13N3O4S/c14-9-2-1-8(12-13-9)10(15)11-7-3-5-18(16,17)6-4-7/h1-2,7H,3-6H2,(H,11,15)(H,13,14)
InChIKeyBGDWTAMSMHVDFX-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-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30789067
N-cyclopent-3-en-1-yl-6-oxo-1H-pyridazine-3-carboxamide
CID 103762323
6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
CID 110745882
6-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyridazine-3-carboxamide
CID 90633191
N-[1-(2-chloropropanoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561735
N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110820443
N-(1-methyl-5-oxopyrrolidin-3-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 110745997
N-[1-(2-cyanoacetyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108554971
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108555061
6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
CID 46456038
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108554976
N-(2,2-diethyloxan-4-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103868621

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-6-oxo-1H-pyridazine-3-carboxamide (CID 113223754) is N-(1,1-dioxothian-4-yl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-6-oxo-1H-pyridazine-3-carboxamide is O=C(NC1CCS(=O)(=O)CC1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is BGDWTAMSMHVDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c14-9-2-1-8(12-13-9)10(15)11-7-3-5-18(16,17)6-4-7/h1-2,7H,3-6H2,(H,11,15)(H,13,14).
What are the key properties of N-(1,1-dioxothian-4-yl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(1,1-dioxothian-4-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-(1,1-dioxothian-4-yl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 113223754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).