1,2-Dihydro-4-methyl-3,6-pyridazinedione

C5H6N2O2CAS 5754-18-7126.11 g/mol

Open in Covalent MOL file
OHNNHO
Phenol

Properties

Molecular formula
C5H6N2O2
Molar mass
126.11 g/mol
Exact mass
126.0429 Da
Melting point
277 °C
logP
0.20Crippen estimate
Polar surface area
66.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 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
5754-18-7
SMILES
Cc1cc(O)nnc1O
InChIKey
QAVYOWFNXMHVEL-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O2/c1-3-2-4(8)6-7-5(3)9/h2H,1H3,(H,6,8)(H,7,9)

Weigh it out

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

Names and synonyms

8 names
  • 3,6-Pyridazinedione, 1,2-dihydro-4-methyl-
  • 2-Butenedioic acid, 2-methyl-, cyclic hydrazide, (Z)-
  • 3,6-Dihydroxy-4-methylpyridazine
  • NSC 48830
  • NSC 58527
  • 4-Methyl-3,6-pyridazinediol
  • 4-Methyl-3,6-pyridazin-diol
  • 4-Methylpyridazine-3,6-diol

Work with 1,2-Dihydro-4-methyl-3,6-pyridazinedione

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-Dihydroxy-3,4-dimethylpyridine84540-47-652 % similar 1,2-Dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile5444-02-044 % similar 5-Chloro-3-methyl-2(1H)-pyridinone58498-61-641 % similar 5-Bromo-3-methyl-2(1H)-pyridinone89488-30-241 % similar 2-Hydroxy-4-methylquinoline607-66-938 % similar 6-Methylpyridazin-3(2H)-one13327-27-038 % similar Maleic hydrazide123-33-138 % similar 4-Amino-5-methyl-2(1H)-pyridinone95306-64-236 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 1H-pyrazole-3-carboxylate15366-34-4 1-Methyl-1H-pyrazole-5-carboxylic acid16034-46-1 Methyl 1H-imidazole-5-carboxylate17325-26-7 1-Methyl-1H-imidazole-2-carboxylic acid20485-43-2 1H-Imidazole-1-acetic acid22884-10-2 1-Methyl-1H-pyrazole-3-carboxylic acid25016-20-0 2-Furancarboxylic acid hydrazide3326-71-4 5-Methyl-1H-pyrazole-3-carboxylic acid402-61-9

Elsewhere

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