potassium 6-[[4-[2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-4-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C34H42KN6O5+ — CID 162326177

IUPACpotassium 6-[[4-[2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-4-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCCc1c(Cc2ccc(-c3ccccc3C3=NC(O)ON3)cc2)c(=O)n(C2CCC(OCC(C)(C)O)CC2)c2nc(C)nn12.[K+]
InChIInChI=1S/C34H42N6O5.K/c1-5-8-29-28(19-22-11-13-23(14-12-22)26-9-6-7-10-27(26)30-36-33(42)45-38-30)31(41)39(32-35-21(2)37-40(29)32)24-15-17-25(18-16-24)44-20-34(3,4)43;/h6-7,9-14,24-25,33,42-43H,5,8,15-20H2,1-4H3,(H,36,38);/q;+1
InChIKeyVVCYMWBPTCIRQF-UHFFFAOYSA-N
MW653.85 g/mol
LogP1.24
Rot. Bonds10

About potassium 6-[[4-[2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-4-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

potassium 6-[[4-[2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-4-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 162326177) has the molecular formula C34H42KN6O5+ and a molecular weight of 653.85 g/mol. Its IUPAC name is potassium 6-[[4-[2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-4-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Namepotassium 6-[[4-[2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-4-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID162326177
Molecular FormulaC34H42KN6O5+
Molecular Weight653.85 g/mol
Exact Mass653.28
IUPAC Namepotassium 6-[[4-[2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-4-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCCc1c(Cc2ccc(-c3ccccc3C3=NC(O)ON3)cc2)c(=O)n(C2CCC(OCC(C)(C)O)CC2)c2nc(C)nn12.[K+]
InChIInChI=1S/C34H42N6O5.K/c1-5-8-29-28(19-22-11-13-23(14-12-22)26-9-6-7-10-27(26)30-36-33(42)45-38-30)31(41)39(32-35-21(2)37-40(29)32)24-15-17-25(18-16-24)44-20-34(3,4)43;/h6-7,9-14,24-25,33,42-43H,5,8,15-20H2,1-4H3,(H,36,38);/q;+1
InChIKeyVVCYMWBPTCIRQF-UHFFFAOYSA-N
XLogP1.24
TPSA135.50 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.85
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze potassium 6-[[4-[2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-4-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium 6-[[4-[2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-4-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of potassium 6-[[4-[2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-4-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 162326177) is potassium 6-[[4-[2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-4-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for potassium 6-[[4-[2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-4-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for potassium 6-[[4-[2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-4-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCCc1c(Cc2ccc(-c3ccccc3C3=NC(O)ON3)cc2)c(=O)n(C2CCC(OCC(C)(C)O)CC2)c2nc(C)nn12.[K+].
What is the InChIKey of potassium 6-[[4-[2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-4-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is VVCYMWBPTCIRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N6O5.K/c1-5-8-29-28(19-22-11-13-23(14-12-22)26-9-6-7-10-27(26)30-36-33(42)45-38-30)31(41)39(32-35-21(2)37-40(29)32)24-15-17-25(18-16-24)44-20-34(3,4)43;/h6-7,9-14,24-25,33,42-43H,5,8,15-20H2,1-4H3,(H,36,38);/q;+1.
What are the key properties of potassium 6-[[4-[2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-4-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
potassium 6-[[4-[2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-4-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 653.85 g/mol, XLogP of 1.24, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 6-[[4-[2-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-4-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-2-methyl-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 162326177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).