2-(3-chloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide

C8H10ClN3O2 — CID 52903187

IUPAC2-(3-chloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1nc(Cl)ccc1=O
InChIInChI=1S/C8H10ClN3O2/c1-11(2)8(14)5-12-7(13)4-3-6(9)10-12/h3-4H,5H2,1-2H3
InChIKeyVTWKBHQWCVDYSU-UHFFFAOYSA-N
MW215.64 g/mol
LogP-0.02
Rot. Bonds2

About 2-(3-chloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide

2-(3-chloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide (PubChem CID 52903187) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-(3-chloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-chloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
PubChem CID52903187
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name2-(3-chloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1nc(Cl)ccc1=O
InChIInChI=1S/C8H10ClN3O2/c1-11(2)8(14)5-12-7(13)4-3-6(9)10-12/h3-4H,5H2,1-2H3
InChIKeyVTWKBHQWCVDYSU-UHFFFAOYSA-N
XLogP-0.02
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-chloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide (CID 52903187) is 2-(3-chloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-chloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-chloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1nc(Cl)ccc1=O.
What is the InChIKey of 2-(3-chloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide?
The InChIKey is VTWKBHQWCVDYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-11(2)8(14)5-12-7(13)4-3-6(9)10-12/h3-4H,5H2,1-2H3.
What are the key properties of 2-(3-chloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide?
2-(3-chloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide has a molecular weight of 215.64 g/mol, XLogP of -0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 52903187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).