1-(Pyridazin-3-yl)ethan-1-one

C₆H₆N₂OCAS 1122-63-0122.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₆N₂O
Molar mass: 122.13 g/mol
Exact mass: 122.0480 Da
logP: 0.68Crippen estimate
Polar surface area: 42.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

1122-63-0

SMILES

CC(=O)C1=NN=CC=C1

InChIKey

FTSKLNSVINAQGJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H6N2O/c1-5(9)6-3-2-4-7-8-6/h2-4H,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Ethanone, 1-(3-pyridazinyl)- (9ci)

Work with 1-(Pyridazin-3-yl)ethan-1-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Diacetylpyridine1129-30-257 % similar 2-Acetylpyridine1122-62-957 % similar 1-(6-Methyl-2-pyridinyl)ethanone6940-57-448 % similar 3-Acetylpyridine350-03-845 % similar 2-Acetyl-4-methylpyridine59576-26-043 % similar 4-Acetylpyridine1122-54-942 % similar 1-(2-Quinoxalinyl)ethanone25594-62-142 % similar 1,2-Diacetylbenzene704-00-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-(Pyrimidin-5-yl)ethan-1-one10325-70-9 Nicotinaldoxime1193-92-6 2-(Ethoxymethylene)propanedinitrile123-06-8 2-Pyridinecarboxamide1452-77-3 Isonicotinamide1453-82-3 Acetylpyrazine22047-25-2 4-Pyridinealdoxime696-54-8 Pyridine 2-aldoxime873-69-8

Elsewhere

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