4-Bromo-1-(2,2-dimethylpropyl)-5-(pyrazin-2-ylmethoxy)-1H-1,2,3-benzotriazole

HCID 67607166
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Basic information

Standard SMILES
CC(C)(C)Cn1nnc2c(Br)c(OCc3cnccn3)ccc21
InChIKey
BNFWEFOWPGODFM-UHFFFAOYSA-N
Molecular formula
C16H18BrN5O
Average molar mass
376.25 g/mol
Monoisotopic mass
375.06947

Names & identifiers

Preferred name
4-Bromo-1-(2,2-dimethylpropyl)-5-(pyrazin-2-ylmethoxy)-1H-1,2,3-benzotriazole
IUPAC
4-bromo-1-(2,2-dimethylpropyl)-5-(pyrazin-2-ylmethoxy)benzotriazole

Names & synonyms

SCHEMBL8511726BNFWEFOWPGODFM-UHFFFAOYSA-N4-Bromo-1-(2,2-dimethylpropyl)-5-(pyrazin-2-ylmethoxy)-1H-1,2,3-benzotriazole

Database identifiers

PubChem CID
67607166

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
65.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
23

Related reactions

1 records
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Compound notes

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