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

HCID 67010484
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Basic information

Standard SMILES
CCCc1c(C(C)c2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC(O)CC2)c2ncnn12
InChIKey
MMOOIPCYAFJJAZ-UHFFFAOYSA-N
Molecular formula
C29H31N5O2
Average molar mass
481.6 g/mol
Monoisotopic mass
481.24777525

Names & identifiers

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

Names & synonyms

SCHEMBL1375171SCHEMBL1375172MMOOIPCYAFJJAZ-FJOXCSBYSA-N4'-{1-[4-(trans-4-hydroxycyclohexyl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethyl}biphenyl-2-carbonitrile

Database identifiers

PubChem CID
67010484

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
95 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
36

Related reactions

2 records
New reaction record

Compound notes

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