5-Methyl-3(2H)-pyridazinone

C5H6N2OCAS 54709-94-3110.12 g/mol

Open in Covalent MOL file
ONHN

Properties

Molecular formula
C5H6N2O
Molar mass
110.12 g/mol
Exact mass
110.0480 Da
logP
0.08Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
54709-94-3
SMILES
CC1=CC(=O)NN=C1
InChIKey
MMDFKVYPOQFQHP-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O/c1-4-2-5(8)7-6-3-4/h2-3H,1H3,(H,7,8)

Weigh it out

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

Names and synonyms

1 names
  • 5-Methylpyridazin-3-ol

Work with 5-Methyl-3(2H)-pyridazinone

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-Hydroxy-4-methylpyridine13466-41-645 % similar 4,6-Dimethylpyridin-2-ol16115-08-543 % similar 5-Methyl-1H-indazole1776-37-039 % similar 4-Methylpyrazole7554-65-639 % similar 3,5-Lutidine591-22-038 % similar 3-Methyl-3-pyrazolin-5-one4344-87-033 % similar 5-Bromo-7-methyl-1H-indazole156454-43-232 % similar 4,5-Dibromopyridazin-3-one5788-58-932 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Methyl-1H-pyrazole-4-carbaldehyde112758-40-4 6-Methylpyridazin-3(2H)-one13327-27-0 1-Methyl-2-imidazolecarboxaldehyde13750-81-7 3-Hydroxypentanedinitrile13880-89-2 2-Aminopyridine N-oxide14150-95-9 4-Methylpyrimidin-2-ol hydrochloride15231-48-8 2-Amino-3-hydroxypyridine16867-03-1 1-Methyl-1H-imidazole-4-carbaldehyde17289-26-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook