6-(Trifluoromethyl)-2,3-dihydropyridazin-3-one

C₅H₃F₃N₂OCAS 174607-36-4164.09 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₅H₃F₃N₂O
Molar mass: 164.09 g/mol
Exact mass: 164.0197 Da
logP: 0.79Crippen estimate
Polar surface area: 45.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

174607-36-4

SMILES

C1=CC(=O)NN=C1C(F)(F)F

InChIKey

JREBKHOGWUWIOB-UHFFFAOYSA-N

InChI

InChI=1S/C5H3F3N2O/c6-5(7,8)3-1-2-4(11)10-9-3/h1-2H,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

6-Trifluoromethylpyridazin-3(2H)-one

Work with 6-(Trifluoromethyl)-2,3-dihydropyridazin-3-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

3,5-Bis(trifluoromethyl)pyrazole14704-41-745 % similar 6-Chloropyridazin-3-ol19064-67-645 % similar 3-Methyl-5-(trifluoromethyl)pyrazole10010-93-242 % similar 2-Hydroxy-5-trifluoromethylpyridine33252-63-042 % similar 6-Methylpyridazin-3-ol hydrate7143-82-041 % similar 2-Amino-4-hydroxy-6-trifluoromethylpyrimidine1513-69-541 % similar 4-Hydroxy-2-methyl-6-(trifluoromethyl)pyrimidine2836-44-441 % similar 3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid129768-28-139 % similar

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

Same formula

2-Hydroxy-4-(trifluoromethyl)pyrimidine104048-92-2 4-Hydroxy-6-(trifluoromethyl)pyrimidine1546-78-7 1-(Trifluoroacetyl)imidazole1546-79-8 2-Trifluoromethyl-pyrimidin-4-ol1546-80-1

Elsewhere

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