1H-1,2,4-Triazole
An aromatic compound, C2H3N3, 69.067 g/mol. Boiling point 260 °C (decomposes), melting point 120-121 °C, as published.
Identifiers
- Molecular formula
- C₂H₃N₃
- Molecular weight
- 69.067 g/mol
- Exact mass
- 69.032697 g/mol
- IUPAC name
- 1H-1,2,4-triazole
- c1nc[nH]n1
- InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
- NSPMIYGKQJPBQR-UHFFFAOYSA-N
Measured properties
- Boiling Point
- 260 °C (decomposes)
- 260 °C
- Melting Point
- 120-121 °C
- Density
- 640 kg/m³
- Solubility
- Soluble in water, ethanol
- Solubility in water, g/100ml at 20 °C: 125
- Vapor Pressure
- 0.6 [mmHg]
- Vapor pressure, Pa at 20 °C: 0.2
- LogP
- log Kow = -0.58
- -0.6
- Flash Point
- 170 °C closed cup
- 170 °C c.c.
Calculated properties
- Molecular weight
- 69.07 g/mol
- Exact mass
- 69.032697108 Da
- XLogP3
- -0.6
- Polar surface area
- 41.6 Ų
- Complexity
- 28
- H-bond donors
- 1
- H-bond acceptors
- 2
- logP
- -0.1953
- Topological polar surface area
- 41.57 Ų
- H-bond donors
- 1
- H-bond acceptors
- 2
- Rotatable bonds
- 0
- Molar refractivity
- 16.3827 cm³/mol
- Fraction sp³ carbons
- 0
- QED drug-likeness
- 0.4582
What it is made of
Elements
Structure
- Heavy atoms, hydrogen excluded
- 5
- Total atoms, hydrogen included
- 8
- Rings
- 1
- Aromatic rings
- 1
- Stereocentres
- 0
- Formal charge
- 0
Functional groups
Aromatic ring (five-membered)
The molecule in three dimensions
The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.
Reactions it appears in
Other names for it
The systematic name on this record is 1H-1,2,4-triazole.
The sources also call it 1,2,4-TRIAZOLE, Pyrrodiazole, s-Triazole, 4H-1,2,4-triazole.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as 1H-1,2,4-Triazole. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.
1,8-Diazabicyclo(5.4.0)undec-7-ene
used as a reactant
C₉H₁₆N₂, 152.241 g/mol.
1,4-dibenzyl-2-(1H-1,2,4-triazol-1-ylmethyl)piperazine
formed as a product
C₂₁H₂₅N₅, 347.466 g/mol.
1,1-Bis-(4-trifluoromethylphenyl)-2-(1,2,4-1H-triazolyl)propan-1-ol
formed as a product
C₁₉H₁₅F₆N₃O, 415.337 g/mol.
1,5-Naphthalenedisulfonic acid
used as a reactant
C₁₀H₈O₆S₂, 288.302 g/mol.
1,1-dimethyl-8-[1-(1H-1,2,4-triazol-1-yl)-2,2,2-trifluoroethyl]-2(1H)-naphtho[2,1-b]furanone
formed as a product
C₁₈H₁₄F₃N₃O₂, 361.323 g/mol.
(+/-)-6-[chloro[3-(trifluoromethyl)phenyl]methyl]-2(1H)-quinolinone
used as a reactant
C₁₇H₁₁ClF₃NO, 337.728 g/mol.
Where these values came from
chemistry engine
What this page does not claim
Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.
Where to next
More molecules under 0–9
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with C2H3N3 in a calculation, with every element's contribution shown.
Molarity calculator
Grams of 1H-1,2,4-Triazole for a volume and a concentration, or the concentration a mass gives.
Open in ReactionLens
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