1,2,4-Triazole

C₂H₃N₃CAS 288-88-069.07 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂H₃N₃
Molar mass: 69.07 g/mol
Exact mass: 69.0327 Da
Density: 1.1 g/mL
Melting point: 120 °C
Boiling point: 270–280 °C
Flash point: 170 °C (closed cup)
Water solubility: 1,250 g/L (20 °C)
logP: -0.20Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H319 Causes serious eye irritationSerious eye damage/eye irritation
H360FD May damage fertility; May damage the unborn childReproductive toxicity

Harmonised EU classification (CLP Annex VI, index 613-111-00-X), via PubChem.

Precautionary statements

P203, P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P318, P330, P337+P317, P405, P501

Identifiers

CAS number

288-88-0

SMILES

c1nc[nH]n1

InChIKey

NSPMIYGKQJPBQR-UHFFFAOYSA-N

InChI

InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)

Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+

[M + H]+ Calcd for C2H4N3 70.0400

[M + Na]+

[M + Na]+ Calcd for C2H3N3Na 92.0219

[M − H]−

[M − H]− Calcd for C2H2N3 68.0254

Elemental analysis

Anal. Calcd for C2H3N3: C, 34.78; H, 4.38; N, 60.84.

Weigh it out

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

Names and synonyms

5 names

1H-1,2,4-Triazole
s-Triazole
4H-1,2,4-Triazole
NSC 83128
3,4-Diazapyrrole

Reactions

1,2,4-TRIAZOLE (1H-1,2,4-Triazole)product

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 288-88-0. Each row opens the sheet with its composition and PDF.

1,2,4-1H-Triazole ≤ 100 %Fisher Scientific · 2025-12-18

Open in the SDS library

Work with 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Triazole sodium salt41253-21-8Salt

Same formula

1,2,3-Triazole288-36-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia