1,2,3-Triazole
Properties
- Molecular formula
- C2H3N3
- Molar mass
- 69.07 g/mol
- Exact mass
- 69.0327 Da
- Melting point
- 23 °C
- Boiling point
- 204 °C
- logP
- -0.20Crippen estimate
- Polar surface area
- 41.6 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation96.7% of notifiers
Aggregated from 91 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
288-36-8SMILES
c1c[nH]nn1InChIKey
QWENRTYMTSOGBR-UHFFFAOYSA-NInChI
InChI=1S/C2H3N3/c1-2-4-5-3-1/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 68.0254Elemental 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.
Names and synonyms
7 names
- 1H-1,2,3-Triazole
- v-Triazole
- Pyrrodiazole
- Triazacyclopentadiene
- Osotriazole
- 2H-1,2,3-Triazole
- 2,3-Diazapyrrole
Work with 1,2,3-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
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue.