3,6-Dihydroxy-4,5-dimethylpyridazine

C6H8N2O2CAS 5754-17-6140.14 g/mol

Open in Covalent MOL file
ONHHNO

Properties

Molecular formula
C6H8N2O2
Molar mass
140.14 g/mol
Exact mass
140.0586 Da
logP
-0.32Crippen estimate
Polar surface area
65.7 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
5754-17-6
SMILES
CC1=C(C(=O)NNC1=O)C
InChIKey
QLFHLLQTPRTMLL-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O2/c1-3-4(2)6(10)8-7-5(3)9/h1-2H3,(H,7,9)(H,8,10)
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 5.90 (br s, 2H), 1.71 (s, 6H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 164.8, 133.4, 17.2.
[M + H]+
[M + H]+ Calcd for C6H9N2O2 141.0659
[M + Na]+
[M + Na]+ Calcd for C6H8N2NaO2 163.0478
[M − H]−
[M − H]− Calcd for C6H7N2O2 139.0513
Elemental analysis
Anal. Calcd for C6H8N2O2: C, 51.42; H, 5.75; N, 19.99.

Weigh it out

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

Names and synonyms

1 name
  • 4,5-Dimethylpyridazine-3,6-diol

Work with 3,6-Dihydroxy-4,5-dimethylpyridazine

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

1,2-Dihydro-4-methyl-3,6-pyridazinedione5754-18-740 % similar 2,3-Dihydro-1,4-phthalazinedione1445-69-836 % similar 2-Amino-5,6-dimethyl-4(3H)-pyrimidinone3977-23-934 % similar 4,6-Dihydroxy-5-methylpyrimidine63447-38-134 % similar Hexamethylbenzene87-85-433 % similar Indazolinone7364-25-231 % similar 2,3,4,5-Tetramethylpyrrole1003-90-330 % similar 2,6-Dihydroxy-3,4-dimethylpyridine84540-47-630 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Dimethyl-1H-pyrazole-4-carboxylic acid113808-86-9 4,6-Diaminoresorcinol15791-87-4 Methyl 1-methyl-1H-imidazole-5-carboxylate17289-20-2 Methyl 1-methyl-1H-pyrazole-3-carboxylate17827-61-1 3-Imidazol-1-yl-propionic acid18999-45-6 Ethyl imidazole-4-carboxylate23785-21-9 5,6-Dimethyluracil26305-13-5 Ethyl 1H-imidazole-2-carboxylate33543-78-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook