3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine

C7H5N3O2CAS 28230-32-2163.14 g/mol

Open in Covalent MOL file
ONNNHO

Properties

Molecular formula
C7H5N3O2
Molar mass
163.14 g/mol
Exact mass
163.0382 Da
Melting point
186–187 °C (decomposes)
logP
0.03Crippen estimate
Polar surface area
68.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0

Hazards

Danger
Explosive (GHS01)Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P230, P240, P250, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P380, P372, P373, P401, P403+P233, P405, P501

Identifiers

CAS number
28230-32-2
SMILES
O=c1c2ccccc2nnn1O
InChIKey
HJBLUNHMOKFZQX-UHFFFAOYSA-N
InChI
InChI=1S/C7H5N3O2/c11-7-5-3-1-2-4-6(5)8-9-10(7)12/h1-4,12H

Weigh it out

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

Names and synonyms

11 names
  • 1,2,3-Benzotriazin-4(3H)-one, 3-hydroxy-
  • 3-Hydroxy-1,2,3-benzotriazin-4(3H)-one
  • 3-Hydroxy-4-oxo-3,4-dihydro-1,2,3-benzotriazine
  • 3-Hydroxy-1,2,3-benzotriazin-4-one
  • 3-Hydroxy-3,4-dihydro-4-oxo-1,2,3-benzotriazine
  • HODhbt
  • 3-Hydroxy-1,2,3-benzotriazine-4(3H)-one
  • DhbtOH
  • NSC 279266
  • HOOBt
  • 3-Hydroxy-3,4-dihydro-1,2,3-benzotriazin-4-one

Work with 3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine

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

Hydroxybenzotriazole2592-95-252 % similar 1-Hydroxy-1H-benzotriazole hydrate (1:?)123333-53-947 % similar 1-Hydroxybenzotriazole hydrate80029-43-247 % similar DEPBT165534-43-044 % similar Benzo[c]cinnoline230-17-143 % similar 1-Hydroxy-7-azabenzotriazole39968-33-743 % similar Azinphos-methyl86-50-042 % similar Azinphos-ethyl2642-71-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Nitro-1H-pyrrolo[2,3-B]pyridine101083-92-5 1H-Pyrazolo[3,4-B]pyridine-3-carboxylicacid(9ci)116855-08-4 Imidazo(1,2-b)pyridazine-2-carboxylic acid160911-42-2 2-Cyano-4-nitroaniline17420-30-3 3-Nitro-7-azaindole23709-47-9 Benzotriazole-5-carboxylic acid23814-12-2 6-Nitroimidazo[1,2-A]pyridine25045-82-3 Pyrazolo[1,5-A]pyrimidine-3-carboxylic acid25940-35-6

Elsewhere

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