1-Methyl-4-nitroimidazole

C4H5N3O2CAS 3034-41-1127.10 g/mol

Open in Covalent MOL file
NNN+OO−
Nitro

Properties

Molecular formula
C4H5N3O2
Molar mass
127.10 g/mol
Exact mass
127.0382 Da
Melting point
133–140 °C
logP
0.33Crippen estimate
Polar surface area
61.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
3034-41-1
SMILES
Cn1cnc([N+](=O)[O-])c1
InChIKey
HSCOLDQJZRZQMV-UHFFFAOYSA-N
InChI
InChI=1S/C4H5N3O2/c1-6-2-4(5-3-6)7(8)9/h2-3H,1H3

Weigh it out

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

Names and synonyms

3 names
  • 1H-Imidazole, 1-methyl-4-nitro-
  • Imidazole, 1-methyl-4-nitro-
  • 1-Methyl-4-nitro-1H-imidazole

Work with 1-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

5-Chloro-1-methyl-4-nitroimidazole4897-25-041 % similar 5-Methyl-2-nitropyridine1074-38-041 % similar 1-Methyl-1H-imidazole-4-carbaldehyde17289-26-840 % similar 4-Methyl-2-nitropyridine18368-71-339 % similar 4-Bromo-1-methyl-1H-imidazole25676-75-939 % similar 4-Iodo-1-methyl-1H-imidazole71759-87-039 % similar Dimetridazole551-92-838 % similar 1-Methyl-1H-imidazole-4-sulfonyl chloride137049-00-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methyl-4-nitroimidazole14003-66-8 N-(Aminocarbonyl)-2-cyanoacetamide1448-98-2 1,2,4-Triazole-1-acetic acid28711-29-7 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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