5-fluoro-2-(1H-1,2,4-triazol-1-yl)benzonitrile

HCID 21866254
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Basic information

Standard SMILES
N#Cc1cc(F)ccc1-n1cncn1
InChIKey
DYXLXGFQGXDUFN-UHFFFAOYSA-N
Molecular formula
C9H5FN4
Average molar mass
188.16 g/mol

Names & identifiers

Preferred name
5-fluoro-2-(1H-1,2,4-triazol-1-yl)benzonitrile
IUPAC
5-fluoro-2-(1,2,4-triazol-1-yl)benzonitrile

Names & synonyms

5-fluoro-2-(1H-1,2,4-triazol-1-yl)benzonitrile449758-80-95-fluoro-2-(1,2,4-triazol-1-yl)benzonitrileSCHEMBL2526423DYXLXGFQGXDUFN-UHFFFAOYSA-NMFCD18860663AKOS012978619AT50417A1-09012

Database identifiers

PubChem CID
21866254

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
54.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
14

Related reactions

15 records
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Compound notes

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