6-oxo-N-(thiolan-3-yl)-1H-pyridazine-3-carboxamide

C9H11N3O2S — CID 103708643

IUPAC6-oxo-N-(thiolan-3-yl)-1H-pyridazine-3-carboxamide
SMILESO=C(NC1CCSC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H11N3O2S/c13-8-2-1-7(11-12-8)9(14)10-6-3-4-15-5-6/h1-2,6H,3-5H2,(H,10,14)(H,12,13)
InChIKeyIYWRJFUOBAOGLH-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.01
Rot. Bonds2

About 6-oxo-N-(thiolan-3-yl)-1H-pyridazine-3-carboxamide

6-oxo-N-(thiolan-3-yl)-1H-pyridazine-3-carboxamide (PubChem CID 103708643) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 6-oxo-N-(thiolan-3-yl)-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(thiolan-3-yl)-1H-pyridazine-3-carboxamide
PubChem CID103708643
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name6-oxo-N-(thiolan-3-yl)-1H-pyridazine-3-carboxamide
SMILESO=C(NC1CCSC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H11N3O2S/c13-8-2-1-7(11-12-8)9(14)10-6-3-4-15-5-6/h1-2,6H,3-5H2,(H,10,14)(H,12,13)
InChIKeyIYWRJFUOBAOGLH-UHFFFAOYSA-N
XLogP0.01
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridazine-3-carboxamide
CID 47038195
2-[6-oxo-3-(trifluoromethyl)-1,6-dihydropyridazin-1-yl]-N-(2-oxothiolan-3-yl)propanamide
CID 145875370
N-[2-(2,2-dimethylpropylsulfanyl)-1-(6-oxo-1H-pyridazin-3-yl)ethyl]acetamide
CID 141377639
N-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30789064
N-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30789067
N-(1,1-dioxothiolan-3-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 45770494
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
CID 45797621
N-(1,1-dioxothiolan-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 45797830
N-((1,1-dioxidotetrahydrothiophen-3-yl)methyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 45808576
3-(thiomorpholine-4-carbonyl)-1H-pyridazin-6-one
CID 45828431
N-(2-cyclopentylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 45880903
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 47340179

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(thiolan-3-yl)-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(thiolan-3-yl)-1H-pyridazine-3-carboxamide (CID 103708643) is 6-oxo-N-(thiolan-3-yl)-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(thiolan-3-yl)-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(thiolan-3-yl)-1H-pyridazine-3-carboxamide is O=C(NC1CCSC1)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-(thiolan-3-yl)-1H-pyridazine-3-carboxamide?
The InChIKey is IYWRJFUOBAOGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c13-8-2-1-7(11-12-8)9(14)10-6-3-4-15-5-6/h1-2,6H,3-5H2,(H,10,14)(H,12,13).
What are the key properties of 6-oxo-N-(thiolan-3-yl)-1H-pyridazine-3-carboxamide?
6-oxo-N-(thiolan-3-yl)-1H-pyridazine-3-carboxamide has a molecular weight of 225.27 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(thiolan-3-yl)-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103708643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).