5-Methyl-4-nitroimidazole

C4H5N3O2CAS 14003-66-8127.10 g/mol

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NHNN+OO−
Nitro

Properties

Molecular formula
C4H5N3O2
Molar mass
127.10 g/mol
Exact mass
127.0382 Da
Melting point
242–245 °C
logP
0.63Crippen estimate
Polar surface area
71.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

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

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Identifiers

CAS number
14003-66-8
SMILES
Cc1nc[nH]c1[N+](=O)[O-]
InChIKey
WSYOWIMKNNMEMZ-UHFFFAOYSA-N
InChI
InChI=1S/C4H5N3O2/c1-3-4(7(8)9)6-2-5-3/h2H,1H3,(H,5,6)

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Names and synonyms

7 names
  • 1H-Imidazole, 4-methyl-5-nitro-
  • Imidazole, 4-methyl-5-nitro-
  • Imidazole, 4(or 5)-methyl-5(or 4)-nitro-
  • 4-Methyl-5-nitro-1H-imidazole
  • 4-Methyl-5-nitroimidazole
  • RP 8549
  • NSC 156634

Work with 5-Methyl-4-nitroimidazole

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-Methyl-3-nitropyridine18699-87-147 % similar 5-Chloro-2-methyl-3-nitropyridine1211533-93-544 % similar 2-Methyl-3-nitropyridine hydrochloride63585-69-344 % similar 5-Bromo-2-methyl-3-nitropyridine911434-05-444 % similar 2,3-Dimethyl-4-nitropyridine68707-69-742 % similar 2,3-Dimethyl-5-nitropyridine89244-47-342 % similar 3-Nitro-1,2,4-triazole24807-55-441 % similar 3,5-Dimethyl-4-nitropyrazole14531-55-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(Aminocarbonyl)-2-cyanoacetamide1448-98-2 1,2,4-Triazole-1-acetic acid28711-29-7 1-Methyl-4-nitroimidazole3034-41-1 1-Methyl-4-nitro-1H-pyrazole3994-50-1 3-Amino-1H-pyrazole-4-carboxylic acid41680-34-6 Methyl 1H-1,2,4-triazole-5-carboxylate4928-88-5 Methyl 1,2,3-triazole-4-carboxylate4967-77-5 3-Methyl-4-nitro-1H-pyrazole5334-39-4

Elsewhere

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