1,3,5-Triazine
Properties
- Molecular formula
- C3H3N3
- Molar mass
- 81.08 g/mol
- Exact mass
- 81.0327 Da
- Density
- 0.9418 g/mL (at 20 °C)
- Melting point
- 86 °C
- Boiling point
- 114 °C
- logP
- -0.13Crippen estimate
- Polar surface area
- 38.7 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed97.8% of notifiers
- H314 Causes severe skin burns and eye damage13% of notifiers
- H315 Causes skin irritation87% of notifiers
- H318 Causes serious eye damage89.1% of notifiers
- H335 May cause respiratory irritation87% of notifiers
- H360 May damage fertility or the unborn child15.2% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
290-87-9SMILES
c1ncncn1InChIKey
JIHQDMXYYFUGFV-UHFFFAOYSA-NInChI
InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- s-Triazine
- Cyanidine
- Triazine
- Sym-Triazine
- Vedita 250
- NSC 56189
Work with 1,3,5-Triazine
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
Pyrimidine289-95-245 % similar
5-Chloropyrimidine17180-94-833 % similar
5-Methylpyrimidine2036-41-133 % similar
Pyrimidin-5-ol26456-59-733 % similar
Pyrazine290-37-933 % similar
5-Iodopyrimidine31462-58-533 % similar
5-Bromopyrimidine4595-59-933 % similar
Pyrimidin-5-amine591-55-933 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.