3-Nitro-1,2,4-triazole

C₂H₂N₄O₂CAS 24807-55-4114.06 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

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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