3-Nitro-1,2,4-triazole

C2H2N4O2CAS 24807-55-4114.06 g/mol

Open in Covalent MOL file
ON+O−NNHN
Nitro

Properties

Molecular formula
C2H2N4O2
Molar mass
114.06 g/mol
Exact mass
114.0178 Da
Density
1.65 g/mL (at 20 °C)
Melting point
210 °C
logP
-0.29Crippen estimate
Polar surface area
84.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 9 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
24807-55-4
SMILES
O=[N+]([O-])c1nc[nH]n1
InChIKey
KUEFXPHXHHANKS-UHFFFAOYSA-N
InChI
InChI=1S/C2H2N4O2/c7-6(8)2-3-1-4-5-2/h1H,(H,3,4,5)

Weigh it out

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

Names and synonyms

8 names
  • 1H-1,2,4-Triazole, 5-nitro-
  • s-Triazole, 3-nitro-
  • 1H-1,2,4-Triazole, 3-nitro-
  • 5-Nitro-1H-1,2,4-triazole
  • 3-Nitro-1H-1,2,4-triazole
  • NSC 133107
  • N 0477
  • 3-Nitro-4H-1,2,4-triazole

Work with 3-Nitro-1,2,4-triazole

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

3-Nitropyrazole26621-44-345 % similar 5-Methyl-4-nitroimidazole14003-66-841 % similar 3-Methyl-4-nitro-1H-pyrazole5334-39-441 % similar 4-Nitropyrazole2075-46-941 % similar Nitroimidazole3034-38-641 % similar 2-Nitroimidazole527-73-141 % similar 2,4-Dinitroimidazole5213-49-039 % similar 2-Chloro-5-nitropyrimidine10320-42-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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