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

C6H5Cl2N3O2 — CID 2585140

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
SMILESNC(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C6H5Cl2N3O2/c7-3-1-10-11(2-4(9)12)6(13)5(3)8/h1H,2H2,(H2,9,12)
InChIKeyWJJCNHSYUQXEFB-UHFFFAOYSA-N
MW222.03 g/mol
LogP0.04
Rot. Bonds2

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

2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide (PubChem CID 2585140) has the molecular formula C6H5Cl2N3O2 and a molecular weight of 222.03 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
PubChem CID2585140
Molecular FormulaC6H5Cl2N3O2
Molecular Weight222.03 g/mol
Exact Mass220.98
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
SMILESNC(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C6H5Cl2N3O2/c7-3-1-10-11(2-4(9)12)6(13)5(3)8/h1H,2H2,(H2,9,12)
InChIKeyWJJCNHSYUQXEFB-UHFFFAOYSA-N
XLogP0.04
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide (CID 2585140) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide is NC(=O)Cn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The InChIKey is WJJCNHSYUQXEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N3O2/c7-3-1-10-11(2-4(9)12)6(13)5(3)8/h1H,2H2,(H2,9,12).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide has a molecular weight of 222.03 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 2585140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).