4-[(5-Bromo-pentyl)-[1,2,4]triazol-4-yl-amino]-benzonitrile

HCID 21976902
NotesReactions
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Basic information

Standard SMILES
N#Cc1ccc(N(CCCCCBr)n2cnnc2)cc1
InChIKey
QJRSZWYKNSKHAI-UHFFFAOYSA-N
Molecular formula
C14H16BrN5
Average molar mass
334.21 g/mol

Names & identifiers

Preferred name
4-[(5-Bromo-pentyl)-[1,2,4]triazol-4-yl-amino]-benzonitrile
IUPAC
4-[5-bromopentyl(1,2,4-triazol-4-yl)amino]benzonitrile

Names & synonyms

SCHEMBL3240018QJRSZWYKNSKHAI-UHFFFAOYSA-N4-[(5-Bromo-pentyl)-[1,2,4]triazol-4-yl-amino]-benzonitrile

Database identifiers

PubChem CID
21976902

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
57.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
20

Related reactions

3 records
New reaction record

Compound notes

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