Urazole

C₂H₃N₃O₂CAS 3232-84-6101.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂H₃N₃O₂
Molar mass: 101.06 g/mol
Exact mass: 101.0225 Da
Melting point: 249.5 °C (decomposes)
logP: -1.61Crippen estimate
Polar surface area: 81.5 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3232-84-6

SMILES

C1(=O)NC(=O)NN1

InChIKey

UDATXMIGEVPXTR-UHFFFAOYSA-N

InChI

InChI=1S/C2H3N3O2/c6-1-3-2(7)5-4-1/h(H3,3,4,5,6,7)

Characterization data

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

¹H NMR

Predicted ¹H NMR (400 MHz, CDCl₃) δ 8.50 (br s, 1H), 5.00 (br s, 2H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 158.6.

[M + H]+

[M + H]+ Calcd for C2H4N3O2 102.0298

[M + Na]+

[M + Na]+ Calcd for C2H3N3NaO2 124.0117

[M − H]−

[M − H]− Calcd for C2H2N3O2 100.0152

Elemental analysis

Anal. Calcd for C2H3N3O2: C, 23.77; H, 2.99; N, 41.58.

Weigh it out

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

Names and synonyms

12 names

1,2,4-Triazolidine-3,5-dione
Bicarbamimide
s-Triazole-3,5-diol
1H-1,2,4-Triazole-3,5(2H,4H)-dione
Urazol
3,5-Dihydroxy-1,2,4-triazole
Urazole bicarbamide
Uracol
Triazolidine-3,5-dione
1H-1,2,4-Triazole-3,5-dione
NSC 15394
NSC 1892

Work with Urazole

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

Cyanuric acid108-80-567 % similar Melamine cyanurate37640-57-640 % similar 1,3-Dihydro-2H-imidazol-2-one5918-93-435 % similar 2-Benzimidazolinone615-16-735 % similar Uric acid69-93-232 % similar 1,3-Dihydro-4-methyl-2H-imidazol-2-one1192-34-330 % similar 5,6-Diaminobenzimidazolone55621-49-330 % similar Uracil66-22-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Azidoacetic acid18523-48-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook