N-(3,6-dichloropyridazin-4-yl)-N-ethylacetamide

C8H9Cl2N3O — CID 174610331

IUPACN-(3,6-dichloropyridazin-4-yl)-N-ethylacetamide
SMILESCCN(C(C)=O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C8H9Cl2N3O/c1-3-13(5(2)14)6-4-7(9)11-12-8(6)10/h4H,3H2,1-2H3
InChIKeyDRGJSSRNUMTSGW-UHFFFAOYSA-N
MW234.09 g/mol
LogP2.16
Rot. Bonds2

About N-(3,6-dichloropyridazin-4-yl)-N-ethylacetamide

N-(3,6-dichloropyridazin-4-yl)-N-ethylacetamide (PubChem CID 174610331) has the molecular formula C8H9Cl2N3O and a molecular weight of 234.09 g/mol. Its IUPAC name is N-(3,6-dichloropyridazin-4-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(3,6-dichloropyridazin-4-yl)-N-ethylacetamide
PubChem CID174610331
Molecular FormulaC8H9Cl2N3O
Molecular Weight234.09 g/mol
Exact Mass233.01
IUPAC NameN-(3,6-dichloropyridazin-4-yl)-N-ethylacetamide
SMILESCCN(C(C)=O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C8H9Cl2N3O/c1-3-13(5(2)14)6-4-7(9)11-12-8(6)10/h4H,3H2,1-2H3
InChIKeyDRGJSSRNUMTSGW-UHFFFAOYSA-N
XLogP2.16
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3,6-dichloropyridazin-4-yl)-N-ethylacetamide 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 N-(3,6-dichloropyridazin-4-yl)-N-ethylacetamide?
The IUPAC name of N-(3,6-dichloropyridazin-4-yl)-N-ethylacetamide (CID 174610331) is N-(3,6-dichloropyridazin-4-yl)-N-ethylacetamide.
What is the SMILES notation for N-(3,6-dichloropyridazin-4-yl)-N-ethylacetamide?
The canonical SMILES for N-(3,6-dichloropyridazin-4-yl)-N-ethylacetamide is CCN(C(C)=O)c1cc(Cl)nnc1Cl.
What is the InChIKey of N-(3,6-dichloropyridazin-4-yl)-N-ethylacetamide?
The InChIKey is DRGJSSRNUMTSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3O/c1-3-13(5(2)14)6-4-7(9)11-12-8(6)10/h4H,3H2,1-2H3.
What are the key properties of N-(3,6-dichloropyridazin-4-yl)-N-ethylacetamide?
N-(3,6-dichloropyridazin-4-yl)-N-ethylacetamide has a molecular weight of 234.09 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dichloropyridazin-4-yl)-N-ethylacetamide is sourced from PubChem (CID 174610331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).