6-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide

C13H17N3O3S — CID 113200172

IUPAC6-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(C2CC2)nn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H17N3O3S/c1-16(10-6-7-20(18,19)8-10)13(17)12-5-4-11(14-15-12)9-2-3-9/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyWXQVXRIKHVOZPZ-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.61
Rot. Bonds3

About 6-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide

6-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide (PubChem CID 113200172) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 6-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide
PubChem CID113200172
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name6-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(C2CC2)nn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H17N3O3S/c1-16(10-6-7-20(18,19)8-10)13(17)12-5-4-11(14-15-12)9-2-3-9/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyWXQVXRIKHVOZPZ-UHFFFAOYSA-N
XLogP0.61
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111762
5-N-(1,1-dioxothiolan-3-yl)-5-N-methylpyridine-2,5-dicarboxamide
CID 47460685
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
N-(1,1-dioxothiolan-3-yl)-5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104640345
6-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 113343275
6-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 62240492
N-(1,1-dioxothiolan-3-yl)-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 146124038
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide
CID 109123005
5-[(4-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109190084
N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
CID 7430109
6-cyclopropyl-N,N-dipropylpyridazine-3-carboxamide
CID 113200208
5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109189235

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide (CID 113200172) is 6-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide is CN(C(=O)c1ccc(C2CC2)nn1)C1CCS(=O)(=O)C1.
What is the InChIKey of 6-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide?
The InChIKey is WXQVXRIKHVOZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-16(10-6-7-20(18,19)8-10)13(17)12-5-4-11(14-15-12)9-2-3-9/h4-5,9-10H,2-3,6-8H2,1H3.
What are the key properties of 6-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide?
6-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 113200172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).