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

C7H7Cl2N3O2 — CID 162728139

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)propanamide
SMILESCC(C(N)=O)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H7Cl2N3O2/c1-3(6(10)13)12-7(14)5(9)4(8)2-11-12/h2-3H,1H3,(H2,10,13)
InChIKeyHQDIBKSWGIBZSG-UHFFFAOYSA-N
MW236.06 g/mol
LogP0.60
Rot. Bonds2

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

2-(4,5-dichloro-6-oxopyridazin-1-yl)propanamide (PubChem CID 162728139) has the molecular formula C7H7Cl2N3O2 and a molecular weight of 236.06 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)propanamide
PubChem CID162728139
Molecular FormulaC7H7Cl2N3O2
Molecular Weight236.06 g/mol
Exact Mass234.99
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)propanamide
SMILESCC(C(N)=O)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H7Cl2N3O2/c1-3(6(10)13)12-7(14)5(9)4(8)2-11-12/h2-3H,1H3,(H2,10,13)
InChIKeyHQDIBKSWGIBZSG-UHFFFAOYSA-N
XLogP0.60
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-Dichloro-6-oxo-pyridazin-1-yl)-2-oxo-acetamide
CID 366292
n-Butyl-2-(4,5-dichloro-6-oxopyridazin-1(6h)-yl)acetamide
CID 2082544
N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 2585183
N-[2-(tert-butylamino)-2-oxoethyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methylacetamide
CID 9492186
2-(4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)acetamide
CID 2585140
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
CID 8862131
2-(4,5-Dichloro-6-oxopyridazin-1(6H)-yl)-N-methylacetamide
CID 8862301
N-(5-Chloro-2-methyl-3-oxo-2,3-dihydropyridazin-4-yl)acetamide
CID 57541437
2-(2-Aminoethyl)-4,5-dichloropyridazin-3-one
CID 59134316
2-(4,5-Dichloro-6-oxopyridazin-1-yl)propanal
CID 91443834
2-(4,5-Dichloro-6-oxopyridazin-1-yl)propanoyl chloride
CID 153897543
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-propan-2-ylacetamide
CID 2585050

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanamide (CID 162728139) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanamide is CC(C(N)=O)n1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanamide?
The InChIKey is HQDIBKSWGIBZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N3O2/c1-3(6(10)13)12-7(14)5(9)4(8)2-11-12/h2-3H,1H3,(H2,10,13).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)propanamide has a molecular weight of 236.06 g/mol, XLogP of 0.60, 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)propanamide is sourced from PubChem (CID 162728139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).