chempirical

Dimetridazole

C5H7N3O2CAS 551-92-8141.13 g/mol

Open in Covalent MOL file
NN+OO−N
Nitro

Properties

Molecular formula
C5H7N3O2
Molar mass
141.13 g/mol
Exact mass
141.0538 Da
Melting point
138.5 °C
logP
0.64Crippen estimate
Polar surface area
61.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
551-92-8
SMILES
Cc1ncc([N+](=O)[O-])n1C
InChIKey
IBXPYPUJPLLOIN-UHFFFAOYSA-N
InChI
InChI=1S/C5H7N3O2/c1-4-6-3-5(7(4)2)8(9)10/h3H,1-2H3

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Names and synonyms

13 names · show all
  • 1H-Imidazole, 1,2-dimethyl-5-nitro-
  • Imidazole, 1,2-dimethyl-5-nitro-
  • 1,2-Dimethyl-5-nitro-1H-imidazole
  • 1,2-Dimethyl-5-nitroimidazole
  • Emtryl
  • 5-Nitro-1,2-dimethylimidazole
  • Emtrylvet
  • Emtrymix
  • Dimetridazol
  • 8595RP
  • Dimetronidazole
  • NSC 226253
  • Dimetrizadole

Work with Dimetridazole

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-Hydroxymethyl-1-methyl-5-nitroimidazole936-05-058 % similar Metronidazole443-48-155 % similar Secnidazole3366-95-852 % similar Ornidazole16773-42-548 % similar Tinidazole19387-91-848 % similar Ronidazole7681-76-748 % similar Metronidazole benzoate13182-89-345 % similar Carnidazole42116-76-743 % similar

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

Same formula

3,5-Dimethyl-4-nitropyrazole14531-55-6 6-Amino-1-methyluracil2434-53-9 2-Amino-5-methyl-4,6(1H,5H)-pyrimidinedione55477-35-5

Elsewhere

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