4'-{[4-(trans-4-Hydroxycyclohexyl)-2-methyl-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}-2'-methylbiphenyl-2-carbonitrile

HCID 67009809
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Basic information

Standard SMILES
CCCc1c(Cc2ccc(-c3ccccc3C#N)c(C)c2)c(=O)n(C2CCC(O)CC2)c2nc(C)nn12
InChIKey
XFYWMHPFFLHPBL-UHFFFAOYSA-N
Molecular formula
C30H33N5O2
Average molar mass
495.6 g/mol
Monoisotopic mass
495.26342531

Names & identifiers

Preferred name
4'-{[4-(trans-4-Hydroxycyclohexyl)-2-methyl-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}-2'-methylbiphenyl-2-carbonitrile
IUPAC
2-[4-[[4-(4-hydroxycyclohexyl)-2-methyl-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]-2-methylphenyl]benzonitrile

Names & synonyms

SCHEMBL1373170SCHEMBL1373171XFYWMHPFFLHPBL-RQNOJGIXSA-N4'-{[4-(trans-4-hydroxycyclohexyl)-2-methyl-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}-2'-methylbiphenyl-2-carbonitrile

Database identifiers

PubChem CID
67009809

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
95 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
37

Related reactions

2 records
New reaction record

Compound notes

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