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

C6H5Cl2N3O — CID 87395792

IUPACN-(3,6-dichloropyridazin-4-yl)acetamide
SMILESCC(=O)Nc1cc(Cl)nnc1Cl
InChIInChI=1S/C6H5Cl2N3O/c1-3(12)9-4-2-5(7)10-11-6(4)8/h2H,1H3,(H,9,10,12)
InChIKeyMXSSLZQKPIFINM-UHFFFAOYSA-N
MW206.03 g/mol
LogP1.74
Rot. Bonds1

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

N-(3,6-dichloropyridazin-4-yl)acetamide (PubChem CID 87395792) has the molecular formula C6H5Cl2N3O and a molecular weight of 206.03 g/mol. Its IUPAC name is N-(3,6-dichloropyridazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3,6-dichloropyridazin-4-yl)acetamide
PubChem CID87395792
Molecular FormulaC6H5Cl2N3O
Molecular Weight206.03 g/mol
Exact Mass204.98
IUPAC NameN-(3,6-dichloropyridazin-4-yl)acetamide
SMILESCC(=O)Nc1cc(Cl)nnc1Cl
InChIInChI=1S/C6H5Cl2N3O/c1-3(12)9-4-2-5(7)10-11-6(4)8/h2H,1H3,(H,9,10,12)
InChIKeyMXSSLZQKPIFINM-UHFFFAOYSA-N
XLogP1.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.03
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dichloro-N-methylpyridazin-4-amine
CID 12955489
N-(6-amino-3-chloropyridazin-4-yl)acetamide
CID 6408818
3,6-Dichloro-4-ureidopyridazine
CID 129706369
3,6-dichloro-N-(3-fluoropropyl)pyridazin-4-amine
CID 130504278
N-tert-butyl-3,6-dichloropyridazin-4-amine
CID 6414699
3,6-Dichloro-4-allylamino pyridazine
CID 21515384
N-Butyl-3,6-dichloropyridazin-4-amine
CID 21515388
3,6-dichloro-N-isopropylpyridazin-4-amine
CID 21515415
3,6-dichloro-N-ethylpyridazin-4-amine
CID 21515424
4-(Boc-amino)-3,6-dichloropyridazine
CID 56923827
N'-(3,6-dichloropyridazin-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 81763905
3,6-dichloro-N-cyclopropylpyridazin-4-amine
CID 81764209

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dichloropyridazin-4-yl)acetamide?
The IUPAC name of N-(3,6-dichloropyridazin-4-yl)acetamide (CID 87395792) is N-(3,6-dichloropyridazin-4-yl)acetamide.
What is the SMILES notation for N-(3,6-dichloropyridazin-4-yl)acetamide?
The canonical SMILES for N-(3,6-dichloropyridazin-4-yl)acetamide is CC(=O)Nc1cc(Cl)nnc1Cl.
What is the InChIKey of N-(3,6-dichloropyridazin-4-yl)acetamide?
The InChIKey is MXSSLZQKPIFINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N3O/c1-3(12)9-4-2-5(7)10-11-6(4)8/h2H,1H3,(H,9,10,12).
What are the key properties of N-(3,6-dichloropyridazin-4-yl)acetamide?
N-(3,6-dichloropyridazin-4-yl)acetamide has a molecular weight of 206.03 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dichloropyridazin-4-yl)acetamide is sourced from PubChem (CID 87395792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).