1,2,4-Triazine-3,5(2H,4H)-dione

C₃H₃N₃O₂CAS 461-89-2113.08 g/mol

Open in Covalent MOL file

Phenol

Properties

Molecular formula: C₃H₃N₃O₂
Molar mass: 113.08 g/mol
Exact mass: 113.0225 Da
Melting point: 274.5 °C
logP: -0.72Crippen estimate
Polar surface area: 79.1 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation89.6% of notifiers
H319 Causes serious eye irritation89.6% of notifiers
H335 May cause respiratory irritation89.6% of notifiers
H341 Suspected of causing genetic defects10.4% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

461-89-2

SMILES

Oc1cnnc(O)n1

InChIKey

SSPYSWLZOPCOLO-UHFFFAOYSA-N

InChI

InChI=1S/C3H3N3O2/c7-2-1-4-6-3(8)5-2/h1H,(H2,5,6,7,8)

Weigh it out

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

Names and synonyms

10 names

As-Triazine-3,5(2H,4H)-dione
As-Triazine-3,5-diol
6-Azauracil
NSC 3425
2,3,4,5-Tetrahydro-1,2,4-triazine-3,5-dione
IPO 3834
1,2,4-Triazine-3,5-diol
2H-[1,2,4]Triazine-3,5-dione
3-Hydroxy-4,5-dihydro-1,2,4-triazin-5-one
3-Hydroxy-4H-[1,2,4]triazin-5-one

Work with 1,2,4-Triazine-3,5(2H,4H)-dione

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

5-Iodo-3(2H)-pyridazinone825633-94-143 % similar Uracil66-22-841 % similar 6-Chlorouracil4270-27-338 % similar 6-Methyluracil626-48-238 % similar 6-Aminouracil873-83-638 % similar 3(2H)-Pyridazinone504-30-337 % similar Maleic hydrazide123-33-135 % similar 6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione18592-13-734 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Nitropyrazole2075-46-9 3-Nitropyrazole26621-44-3 Nitroimidazole3034-38-6 1,2,4-Triazole-3-carboxylic acid4928-87-4 2-Nitroimidazole527-73-1 1-Nitropyrazole7119-95-1

Elsewhere

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