N-(5-chloro-6-oxo-1H-pyridazin-4-yl)acetamide

C6H6ClN3O2 — CID 23263238

IUPACN-(5-chloro-6-oxo-1H-pyridazin-4-yl)acetamide
SMILESCC(=O)Nc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C6H6ClN3O2/c1-3(11)9-4-2-8-10-6(12)5(4)7/h2H,1H3,(H2,9,10,11,12)
InChIKeyJHPSHGTYSAHCAY-UHFFFAOYSA-N
MW187.59 g/mol
LogP0.38
Rot. Bonds1

About N-(5-chloro-6-oxo-1H-pyridazin-4-yl)acetamide

N-(5-chloro-6-oxo-1H-pyridazin-4-yl)acetamide (PubChem CID 23263238) has the molecular formula C6H6ClN3O2 and a molecular weight of 187.59 g/mol. Its IUPAC name is N-(5-chloro-6-oxo-1H-pyridazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-6-oxo-1H-pyridazin-4-yl)acetamide
PubChem CID23263238
Molecular FormulaC6H6ClN3O2
Molecular Weight187.59 g/mol
Exact Mass187.01
IUPAC NameN-(5-chloro-6-oxo-1H-pyridazin-4-yl)acetamide
SMILESCC(=O)Nc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C6H6ClN3O2/c1-3(11)9-4-2-8-10-6(12)5(4)7/h2H,1H3,(H2,9,10,11,12)
InChIKeyJHPSHGTYSAHCAY-UHFFFAOYSA-N
XLogP0.38
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.59
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Amino-4-chloropyridazin-3(2H)-one
CID 95827
4-Chloro-5-(methylamino)-2,3-dihydropyridazin-3-one
CID 10725642
4-Chloro-5-(1-methylhydrazino)-3-pyridazinol
CID 377826
5-chloro-4-(dimethylamino)-1H-pyridazin-6-one
CID 15488674
5-chloro-4-(2,2-difluoroethylamino)-1H-pyridazin-6-one
CID 79098505
5-chloro-4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one
CID 80746939
5-chloro-4-(2-fluoroethylamino)-1H-pyridazin-6-one
CID 133666157
Desphenyl chloridazon-d3
CID 138402709
5-chloro-4-[(2E)-2-propylidenehydrazinyl]-1H-pyridazin-6-one
CID 9569640
4-Chloro-5-(ethylamino)-2-methylpyridazin-3(2H)-one
CID 10511808
5-chloro-4-(ethylamino)-1H-pyridazin-6-one
CID 10725893
5-chloro-4-[methyl-(methylideneamino)amino]-1H-pyridazin-6-one
CID 13381144

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-oxo-1H-pyridazin-4-yl)acetamide?
The IUPAC name of N-(5-chloro-6-oxo-1H-pyridazin-4-yl)acetamide (CID 23263238) is N-(5-chloro-6-oxo-1H-pyridazin-4-yl)acetamide.
What is the SMILES notation for N-(5-chloro-6-oxo-1H-pyridazin-4-yl)acetamide?
The canonical SMILES for N-(5-chloro-6-oxo-1H-pyridazin-4-yl)acetamide is CC(=O)Nc1cn[nH]c(=O)c1Cl.
What is the InChIKey of N-(5-chloro-6-oxo-1H-pyridazin-4-yl)acetamide?
The InChIKey is JHPSHGTYSAHCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O2/c1-3(11)9-4-2-8-10-6(12)5(4)7/h2H,1H3,(H2,9,10,11,12).
What are the key properties of N-(5-chloro-6-oxo-1H-pyridazin-4-yl)acetamide?
N-(5-chloro-6-oxo-1H-pyridazin-4-yl)acetamide has a molecular weight of 187.59 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-6-oxo-1H-pyridazin-4-yl)acetamide is sourced from PubChem (CID 23263238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).