N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide

C12H16N4O3S — CID 113042905

IUPACN-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(NC2CCS(=O)(=O)C2)nn1)C1CC1
InChIInChI=1S/C12H16N4O3S/c17-12(8-1-2-8)14-11-4-3-10(15-16-11)13-9-5-6-20(18,19)7-9/h3-4,8-9H,1-2,5-7H2,(H,13,15)(H,14,16,17)
InChIKeyJFFLIYSCHFYUQK-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.42
Rot. Bonds4

About N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide

N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 113042905) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide
PubChem CID113042905
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(NC2CCS(=O)(=O)C2)nn1)C1CC1
InChIInChI=1S/C12H16N4O3S/c17-12(8-1-2-8)14-11-4-3-10(15-16-11)13-9-5-6-20(18,19)7-9/h3-4,8-9H,1-2,5-7H2,(H,13,15)(H,14,16,17)
InChIKeyJFFLIYSCHFYUQK-UHFFFAOYSA-N
XLogP0.42
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide
CID 113042939
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2,3,4-trifluorobenzamide
CID 113042948
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-phenoxyacetamide
CID 113042936
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113042952
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 113042946
methyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate
CID 60791668
N-[4-[(1,1-dioxothian-4-yl)amino]phenyl]cyclopropanecarboxamide
CID 43511624
N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide
CID 109122798
6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109122803
6-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121378
1-N-(1,1-dioxothiolan-3-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109149254
6-[(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpyridazine-3-carboxamide
CID 109122781

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide (CID 113042905) is N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide is O=C(Nc1ccc(NC2CCS(=O)(=O)C2)nn1)C1CC1.
What is the InChIKey of N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide?
The InChIKey is JFFLIYSCHFYUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c17-12(8-1-2-8)14-11-4-3-10(15-16-11)13-9-5-6-20(18,19)7-9/h3-4,8-9H,1-2,5-7H2,(H,13,15)(H,14,16,17).
What are the key properties of N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide?
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 296.35 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 113042905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).