1-Hydroxy-7-azabenzotriazole

C₅H₄N₄OCAS 39968-33-7136.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₄N₄O
Molar mass: 136.11 g/mol
Exact mass: 136.0385 Da
Density: 1.6 g/mL
Melting point: 215–217 °C
logP: 0.06Crippen estimate
Polar surface area: 63.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 0

Hazards

Danger

H204 Fire or projection hazard95.8% of notifiers
H301 Toxic if swallowed24.1% of notifiers
H302 Harmful if swallowed72.3% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage24.7% of notifiers
H319 Causes serious eye irritation75.3% of notifiers
H335 May cause respiratory irritation26.5% of notifiers

Aggregated from 166 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P230, P234, P236, P240, P250, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P380+P375, P401, P403+P233, P405, P501, P503

Identifiers

CAS number

39968-33-7

SMILES

On1nnc2cccnc21

InChIKey

FPIRBHDGWMWJEP-UHFFFAOYSA-N

InChI

InChI=1S/C5H4N4O/c10-9-5-4(7-8-9)2-1-3-6-5/h1-3,10H

Weigh it out

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

Names and synonyms

10 names

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-
3-Hydroxy-3H-1,2,3-triazolo[4,5-b]pyridine
1-Hydroxy-1H-v-triazolo[4,5-b]pyridine
7-Aza-1-hydroxybenzotriazole
HOAt
[1,2,3]Triazolo[4,5-b]pyridin-3-ol
1-Hydroxyl-7-azabenzotriazole
3H-[1,2,3]Triazolo[4,5-b]pyridin-3-ol
N-Hydroxy-7-azabenzotriazole
3-Hydroxytriazolo[4,5-b]pyridine

Work with 1-Hydroxy-7-azabenzotriazole

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

Hydroxybenzotriazole2592-95-250 % similar 1-Hydroxy-1H-benzotriazole hydrate (1:?)123333-53-945 % similar 1-Hydroxybenzotriazole hydrate80029-43-245 % similar 3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine28230-32-243 % similar 1,5-Naphthyridine254-79-542 % similar (7-Azabenzotriazol-1-yloxy)tris(dimethylamino)phosphonium Hexafluorophosphate156311-85-240 % similar ((7-Azabenzotriazol-1-YL)oxy)tris(pyrrolidino)phosphonium hexafluorophosphate156311-83-038 % similar Pyrido[2,3-b]pyrazine322-46-337 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Allopurinol315-30-0 4-Cyano-1H-imidazole-5-carboxamide5372-23-6 Hypoxanthine68-94-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia