2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide

C10H11Cl2N3O4S — CID 4876125

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H11Cl2N3O4S/c11-7-3-13-15(10(17)9(7)12)4-8(16)14-6-1-2-20(18,19)5-6/h3,6H,1-2,4-5H2,(H,14,16)
InChIKeyQERZDFNNLHGKNY-UHFFFAOYSA-N
MW340.19 g/mol
LogP-0.15
Rot. Bonds3

About 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 4876125) has the molecular formula C10H11Cl2N3O4S and a molecular weight of 340.19 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID4876125
Molecular FormulaC10H11Cl2N3O4S
Molecular Weight340.19 g/mol
Exact Mass338.98
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H11Cl2N3O4S/c11-7-3-13-15(10(17)9(7)12)4-8(16)14-6-1-2-20(18,19)5-6/h3,6H,1-2,4-5H2,(H,14,16)
InChIKeyQERZDFNNLHGKNY-UHFFFAOYSA-N
XLogP-0.15
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide (CID 4876125) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide is O=C(Cn1ncc(Cl)c(Cl)c1=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is QERZDFNNLHGKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O4S/c11-7-3-13-15(10(17)9(7)12)4-8(16)14-6-1-2-20(18,19)5-6/h3,6H,1-2,4-5H2,(H,14,16).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 340.19 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 4876125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).