5-Bromo-1-methyl-1H-benzo[D][1,2,3]triazole

C₇H₆BrN₃CAS 944718-31-4212.05 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆BrN₃
Molar mass: 212.05 g/mol
Exact mass: 210.9745 Da
logP: 1.73Crippen estimate
Polar surface area: 30.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

944718-31-4

SMILES

CN1C2=C(C=C(C=C2)Br)N=N1

InChIKey

PPUYITCIMJVKFE-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrN3/c1-11-7-3-2-5(8)4-6(7)9-10-11/h2-4H,1H3

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Names and synonyms

1 names

5-Bromo-1-methyl-1H-1,2,3-benzotriazole

Work with 5-Bromo-1-methyl-1H-benzo[D][1,2,3]triazole

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

1-Methylbenzotriazole13351-73-053 % similar 5-Bromo-1-methyl-1H-indazole465529-57-150 % similar 5-Bromo-1-methyl-1H-1,3-benzodiazole53484-15-450 % similar 6-Bromo-1-methyl-1H-indazole590417-94-046 % similar 6-Bromo-2-methyl-2H-indazole590417-95-142 % similar 5-Bromo-1-methyl-1H-indole10075-52-241 % similar 5-Bromo-2-methyl-2H-indazole465529-56-038 % similar 6-Bromoquinoxaline50998-17-938 % similar

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

Same formula

6-Bromo-1H-indazol-3-amine404827-77-6 5-Bromo-1H-indazol-3-amine61272-71-7 5-Bromo-1H-benzimidazole-2-amine791595-74-9 5-Bromo-3-methyl-1H-pyrazolo[3,4-b]pyridine885223-65-4 4-Amino-6-bromo (1H)indazole885518-50-3 4-Bromo-1H-indazol-3-amine914311-50-5

Elsewhere

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