chempirical

6-Bromopyrrolo[1,2-F][1,2,4]triazin-4(3H)-one

C6H4BrN3OCAS 888721-83-3214.02 g/mol

Open in Covalent MOL file
ONHNNBr
Aryl halide

Properties

Molecular formula
C6H4BrN3O
Molar mass
214.02 g/mol
Exact mass
212.9538 Da
logP
0.79Crippen estimate
Polar surface area
50.2 Ų
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
888721-83-3
SMILES
C1=C2C(=O)NC=NN2C=C1Br
InChIKey
ISWMRQCCABXILJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrN3O/c7-4-1-5-6(11)8-3-9-10(5)2-4/h1-3H,(H,8,9,11)

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Names and synonyms

1 names
  • 6-Bromopyrrolo[2,1-f][1,2,4]triazin-4-ol

Work with 6-Bromopyrrolo[1,2-F][1,2,4]triazin-4(3H)-one

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

6-Bromo-4-chloropyrrolo[1,2-F][1,2,4]triazine916420-30-946 % similar 7-Bromo-1H-quinazolin-4-one194851-16-638 % similar 6-Bromoquinazolin-4-ol32084-59-638 % similar 5-Bromo-3-fluoro-1,2-dihydropyridin-2-one156772-63-333 % similar 5-Bromopyridine-2,3-diol34206-49-033 % similar 6-Bromo-(1,2,4)triazolo(1,5-a)pyridine356560-80-033 % similar 5-Bromo-3-iodopyridin-2-ol381233-75-633 % similar 5-Bromo-3-chloro-2-hydroxypyridine58236-70-733 % similar

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

Elsewhere

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