(E)-3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)but-2-enoyl azide

HCID 90404286
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Basic information

Standard SMILES
C/C(=C\C(=O)N=[N+]=[N-])c1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1
InChIKey
YTDQHWWHEMFIBY-ZRDIBKRKSA-N
Molecular formula
C19H13F3N6O2
Average molar mass
414.3 g/mol
Monoisotopic mass
414.10520816

Names & identifiers

Preferred name
(E)-3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)but-2-enoyl azide
IUPAC
(E)-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]but-2-enoyl azide

Names & synonyms

(E)-3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)but-2-enoyl azideSCHEMBL16030240

Database identifiers

PubChem CID
90404286

Properties

Computed structural properties

XLogP
6.4
Topological polar surface area
71.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
30

Related reactions

6 records
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Compound notes

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