Compound: 1-Hydroxybenzotriazole
SMILES: On1nnc2c1cccc2
InChIKey: ASOKPJOREAFHNY-UHFFFAOYSA-N
Synonyms: 1-Hydroxybenzotriazole, 2592-95-2, HOBt, Benzazimidol, 1H-Benzotriazole, 1-hydroxy-, A2T929DMG4, DTXSID3044627, DTXCID1024627, RefChem:76020, 219-989-7, 1H-1,2,3-Benzotriazol-1-ol, 1H-Benzo[d][1,2,3]triazol-1-ol, 1H-Benzotriazol-1-ol, N-Hydroxybenzotriazole, 1-Hydroxy-1H-benzotriazole, 1-Benzotriazolol, benzotriazol-1-ol, 1-HYDROXY-BENZOTRIAZOLE, 1-hydroxybenztriazole, 1-Hydroxybenzotrizole, N-Hydroxybenzotriazole hydrate, 1-Hydroxy-1H-benzotriazole hydrate, 1-Hydroxy-1,2,3-benzotriazole, 1H-1,2,3-benzotriazole, 1-hydroxy-, Benzazimidol hydrate, N-Hydroxybenzotriazol, 1-hydroxybenzotriazol, CCRIS 2605, 1-hydroxy benzotriazole, 1H-BENZOTRIAZOLE, HYDROXY-, EINECS 219-989-7, 1-Hydroxy-1H-benzotriazol, benzotriazolol, BRN 0004515, 1-hydroxyl-1H-benzotriazole, UNII-A2T929DMG4, 1,2,3-Benzotriazol-1-ol, benztriazol-1-ol, 1-hydroxybenztriazol, 1-HYDROXY-1-H-BENZOTRIAZOLE, N-hydoxybenzotriazole, N-hydroxybenztriazole, N-Hydroxybezotriazole, 1-hydoxybenzotriazole, 1-hydroxibenzotriazol, 1-hydroxybenzothazole, 1-hydroxybezotriazole, 1-hyroxybenzotriazole, benzotriazole n-oxide, HOBO, l-hydroxybenzotriazole, 1hydroxy-benzotriazole, 3-hydroxybenzotriazole, N-hydroxy-benzotriazol, 1-hydroxy benzotriazol, 1-hydroxy benztriazole, 1-hydroxy-benztriazole, 1-hydroxy-bezotriazole, 1-hydroxybenztria zole, 1-hydroxylbenzotriazole, N-hydroxy benzotriazole, N-hydroxy-benzotriazole, 1 -hydroxybenzotriazole, 1- hydroxybenzotriazole, 1-hydroxybenzo-triazole, 1-hydroxybenzotri-azole, 1H-benzotriazole-1-ol, N-hydroxyl-benzotriazole, 1-N-Hydroxybenzotriazole, Sitagliptin Impurity 47, 1-hydroxy-benzo-triazole, SCHEMBL184, 1-hydroxy-1H-benztriazole, hydroxybenzotriazole (HOBt), SCHEMBL34349, SCHEMBL43714, MLS001006716, 1-hydroxy-(1H)-benzotriazole, SCHEMBL1306975, SCHEMBL2845655, SCHEMBL3295216, SCHEMBL3672275, CHEMBL1389920, CHEBI:176967, 1-H-1,2,3-benzotriazol-1-ol, 1-hydroxy-benzo-1,2,3-triazole, HMS1724G04, HMS2742F11, ALBB-013485, CS-B0704, Tox21_302480, 1-hydroxy-1H-1,2,3-benzotriazole, NSC778225, SBB056385, 1H-benzo[d][1,2,3]triazole-1-ol, AKOS000120715, AC-2558, NSC-778225, 1-HYDROXY-1H-BENZOTRIAZOLE [MI], NCGC00246157-01, NCGC00256701-01, BP-12840, SMR000349651, CAS-2592-95-2, H0468, NS00007863, EN300-17272, AB-131/40192094, Q161641, 1-HYDROXYBENZOTRIAZOLE (WET WITH 14% WATER), 1-Hydroxybenzotriazole(Discontinued,See C4X-113571), 1H-1,2,3-Benzotriazol-1-ol (wet with 14% water), Z56900935, 1-Hydroxybenzotriazole (hobt) (wetted with ~20% water), F0001-2469, 1-Hydroxybenzotriazole;N-Hydroxybenzotriazole; 1-Hydroxy-1H-benzotriazole; 1-Hydroxybenzotriazole anhydrous
Theoretical properties:
molecular_formula: C6H5N3O
molecular_weight: 135.12 g/mol
exact_mass: 135.043261791 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 10
topological_polar_surface_area: 50.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: 8.4 [ug/mL] (The mean of the results at pH 7.4)
Descriptions:
pubchem: 1-Hydroxybenzotriazole is a member of benzotriazoles.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Hydroxybenzotriazole (abbreviated HOBt) is an organic compound with the formula C6H4N3OH.  It is a derivative of benzotriazole.  It is a white crystalline powder, which as a commercial product contains some water (~11.7% wt as the HOBt monohydrate crystal). Anhydrous HOBt is explosive. It is mainly used to suppress the racemization and to improve the efficiency of peptide synthesis.