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

C33H39KN6O5 — CID 173038706

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

potassium;hydride;3-[2-[4-[[4-[4-(2-hydroxybutoxy)cyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 173038706) has the molecular formula C33H39KN6O5 and a molecular weight of 638.81 g/mol. Its IUPAC name is potassium;hydride;3-[2-[4-[[4-[4-(2-hydroxybutoxy)cyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

• Compound Name: potassium;hydride;3-[2-[4-[[4-[4-(2-hydroxybutoxy)cyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one
• PubChem CID: 173038706
• Molecular Formula: C33H39KN6O5
• Molecular Weight: 638.81 g/mol
• Exact Mass: 638.26
• IUPAC Name: potassium;hydride;3-[2-[4-[[4-[4-(2-hydroxybutoxy)cyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one
• SMILES: CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(C2CCC(OCC(O)CC)CC2)c2ncnn12.[H-].[K+]
• InChI: InChI=1S/C33H38N6O5.K.H/c1-3-7-29-28(18-21-10-12-22(13-11-21)26-8-5-6-9-27(26)30-36-33(42)44-37-30)31(41)38(32-34-20-35-39(29)32)23-14-16-25(17-15-23)43-19-24(40)4-2;;/h5-6,8-13,20,23-25,40H,3-4,7,14-19H2,1-2H3,(H,36,37,42);;/q;+1;-1
• InChIKey: MIIFFTLWWKCQHY-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 140.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	638.81
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of potassium;hydride;3-[2-[4-[[4-[4-(2-hydroxybutoxy)cyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one (CID 173038706) is potassium;hydride;3-[2-[4-[[4-[4-(2-hydroxybutoxy)cyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one.

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

The canonical SMILES for potassium;hydride;3-[2-[4-[[4-[4-(2-hydroxybutoxy)cyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one is CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(C2CCC(OCC(O)CC)CC2)c2ncnn12.[H-].[K+].

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

The InChIKey is MIIFFTLWWKCQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N6O5.K.H/c1-3-7-29-28(18-21-10-12-22(13-11-21)26-8-5-6-9-27(26)30-36-33(42)44-37-30)31(41)38(32-34-20-35-39(29)32)23-14-16-25(17-15-23)43-19-24(40)4-2;;/h5-6,8-13,20,23-25,40H,3-4,7,14-19H2,1-2H3,(H,36,37,42);;/q;+1;-1.

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

potassium;hydride;3-[2-[4-[[4-[4-(2-hydroxybutoxy)cyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 638.81 g/mol, XLogP of 1.83, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;hydride;3-[2-[4-[[4-[4-(2-hydroxybutoxy)cyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 173038706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).