Ethanone, 1-(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)-

HCID 84671998
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Basic information

Standard SMILES
CC(=O)c1nc(Br)nn1C
InChIKey
JYEMOLNDQBWOIH-UHFFFAOYSA-N
Molecular formula
C5H6BrN3O
Average molar mass
204.02 g/mol
Monoisotopic mass
202.96942

Names & identifiers

Preferred name
Ethanone, 1-(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)-
IUPAC
1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)ethanone

Names & synonyms

1504582-38-0Ethanone, 1-(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)-1-(3-BROMO-1-METHYL-1H-1,2,4-TRIAZOL-5-YL)ETHAN-1-ONE1-(3-Bromo-1-methyl-1H-1,2,4-triazol-5-yl)ethanoneSCHEMBL15539359JYEMOLNDQBWOIH-UHFFFAOYSA-NALBB-037348MFCD28663915AT40886DB-1612451-(5-bromo-2-methyl-2H-[1,2,4]triazol-3-yl)-ethanone

Database identifiers

PubChem CID
84671998

Properties

Computed structural properties

XLogP
1
Topological polar surface area
47.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
10

Related reactions

1 records
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Compound notes

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