3-Bromo-1H-1,2,4-triazole

C₂H₂BrN₃CAS 7343-33-1147.96 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂H₂BrN₃
Molar mass: 147.96 g/mol
Exact mass: 146.9432 Da
logP: 0.57Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

7343-33-1

SMILES

C1=NNC(=N1)Br

InChIKey

HHIZISRHAQPAMY-UHFFFAOYSA-N

InChI

InChI=1S/C2H2BrN3/c3-2-4-1-5-6-2/h1H,(H,4,5,6)

Weigh it out

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

Names and synonyms

1 names

1H-1,2,4-Triazole, 3-bromo-

Work with 3-Bromo-1H-1,2,4-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

2-Bromo-1H-imidazole16681-56-436 % similar 2H-1,2,4-Triazole-3-carboxamide3641-08-534 % similar 2-(1H-1,2,4-Triazol-5-yl)pyrazine130612-31-632 % similar 3-Bromo-1H-pyrazole14521-80-331 % similar 3,5-Dibromo-4H-1,2,4-triazole7411-23-631 % similar

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

Elsewhere

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