potassium;3-[2-[4-[[4-[4-(2-ethyl-2-hydroxybutoxy)cyclohexyl]-2-methyl-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride

C36H45KN6O5 — CID 173038714

About potassium;3-[2-[4-[[4-[4-(2-ethyl-2-hydroxybutoxy)cyclohexyl]-2-methyl-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride

potassium;3-[2-[4-[[4-[4-(2-ethyl-2-hydroxybutoxy)cyclohexyl]-2-methyl-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride (PubChem CID 173038714) has the molecular formula C36H45KN6O5 and a molecular weight of 680.89 g/mol. Its IUPAC name is potassium;3-[2-[4-[[4-[4-(2-ethyl-2-hydroxybutoxy)cyclohexyl]-2-methyl-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride.

Molecular Properties

• Compound Name: potassium;3-[2-[4-[[4-[4-(2-ethyl-2-hydroxybutoxy)cyclohexyl]-2-methyl-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride
• PubChem CID: 173038714
• Molecular Formula: C36H45KN6O5
• Molecular Weight: 680.89 g/mol
• Exact Mass: 680.31
• IUPAC Name: potassium;3-[2-[4-[[4-[4-(2-ethyl-2-hydroxybutoxy)cyclohexyl]-2-methyl-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride
• SMILES: CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(C2CCC(OCC(O)(CC)CC)CC2)c2nc(C)nn12.[H-].[K+]
• InChI: InChI=1S/C36H44N6O5.K.H/c1-5-10-31-30(21-24-13-15-25(16-14-24)28-11-8-9-12-29(28)32-38-35(44)47-40-32)33(43)41(34-37-23(4)39-42(31)34)26-17-19-27(20-18-26)46-22-36(45,6-2)7-3;;/h8-9,11-16,26-27,45H,5-7,10,17-22H2,1-4H3,(H,38,40,44);;/q;+1;-1
• InChIKey: FNGYPSDXZFBOIO-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 140.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	680.89
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of potassium;3-[2-[4-[[4-[4-(2-ethyl-2-hydroxybutoxy)cyclohexyl]-2-methyl-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride?

The IUPAC name of potassium;3-[2-[4-[[4-[4-(2-ethyl-2-hydroxybutoxy)cyclohexyl]-2-methyl-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride (CID 173038714) is potassium;3-[2-[4-[[4-[4-(2-ethyl-2-hydroxybutoxy)cyclohexyl]-2-methyl-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride.

What is the SMILES notation for potassium;3-[2-[4-[[4-[4-(2-ethyl-2-hydroxybutoxy)cyclohexyl]-2-methyl-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride?

The canonical SMILES for potassium;3-[2-[4-[[4-[4-(2-ethyl-2-hydroxybutoxy)cyclohexyl]-2-methyl-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride is CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(C2CCC(OCC(O)(CC)CC)CC2)c2nc(C)nn12.[H-].[K+].

What is the InChIKey of potassium;3-[2-[4-[[4-[4-(2-ethyl-2-hydroxybutoxy)cyclohexyl]-2-methyl-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride?

The InChIKey is FNGYPSDXZFBOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44N6O5.K.H/c1-5-10-31-30(21-24-13-15-25(16-14-24)28-11-8-9-12-29(28)32-38-35(44)47-40-32)33(43)41(34-37-23(4)39-42(31)34)26-17-19-27(20-18-26)46-22-36(45,6-2)7-3;;/h8-9,11-16,26-27,45H,5-7,10,17-22H2,1-4H3,(H,38,40,44);;/q;+1;-1.

What are the key properties of potassium;3-[2-[4-[[4-[4-(2-ethyl-2-hydroxybutoxy)cyclohexyl]-2-methyl-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride?

potassium;3-[2-[4-[[4-[4-(2-ethyl-2-hydroxybutoxy)cyclohexyl]-2-methyl-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride has a molecular weight of 680.89 g/mol, XLogP of 2.92, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;3-[2-[4-[[4-[4-(2-ethyl-2-hydroxybutoxy)cyclohexyl]-2-methyl-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride is sourced from PubChem (CID 173038714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).