3'-Fluoro-4'-[(5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]biphenyl-2-carbonitrile

HCID 136337139
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Basic information

Standard SMILES
CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2F)c(=O)[nH]c2ncnn12
InChIKey
YYBXEZXNJOLDNG-UHFFFAOYSA-N
Molecular formula
C22H18FN5O
Average molar mass
387.4 g/mol

Names & identifiers

Preferred name
3'-Fluoro-4'-[(5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]biphenyl-2-carbonitrile
IUPAC
2-[3-fluoro-4-[(5-oxo-7-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]phenyl]benzonitrile

Names & synonyms

SCHEMBL1369684YYBXEZXNJOLDNG-UHFFFAOYSA-N3'-fluoro-4'-[(5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]biphenyl-2-carbonitrile

Database identifiers

PubChem CID
136337139

Properties

Computed structural properties

XLogP
4
Topological polar surface area
83.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
29

Related reactions

33 records
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Linked notes

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