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

C8H9Cl2N3O2 — CID 8862131

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H9Cl2N3O2/c1-12(2)6(14)4-13-8(15)7(10)5(9)3-11-13/h3H,4H2,1-2H3
InChIKeyUZHWGLYPINJJJQ-UHFFFAOYSA-N
MW250.08 g/mol
LogP0.64
Rot. Bonds2

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

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide (PubChem CID 8862131) has the molecular formula C8H9Cl2N3O2 and a molecular weight of 250.08 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
PubChem CID8862131
Molecular FormulaC8H9Cl2N3O2
Molecular Weight250.08 g/mol
Exact Mass249.01
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H9Cl2N3O2/c1-12(2)6(14)4-13-8(15)7(10)5(9)3-11-13/h3H,4H2,1-2H3
InChIKeyUZHWGLYPINJJJQ-UHFFFAOYSA-N
XLogP0.64
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 50.64
H-Bond Donors ≤ 50
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)-N,N-dimethylacetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide (CID 8862131) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide?
The InChIKey is UZHWGLYPINJJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3O2/c1-12(2)6(14)4-13-8(15)7(10)5(9)3-11-13/h3H,4H2,1-2H3.
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide has a molecular weight of 250.08 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 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)-N,N-dimethylacetamide is sourced from PubChem (CID 8862131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).