2-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]cyclohexan-1-ol

C22H28N6O — CID 133376377

About 2-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]cyclohexan-1-ol

2-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]cyclohexan-1-ol (PubChem CID 133376377) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 2-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 2-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]cyclohexan-1-ol
• PubChem CID: 133376377
• Molecular Formula: C22H28N6O
• Molecular Weight: 392.51 g/mol
• Exact Mass: 392.23
• IUPAC Name: 2-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]cyclohexan-1-ol
• SMILES: OC1CCCCC1N1CCC(Nc2cc(-c3ccccc3)nc3ncnn23)CC1
• InChI: InChI=1S/C22H28N6O/c29-20-9-5-4-8-19(20)27-12-10-17(11-13-27)25-21-14-18(16-6-2-1-3-7-16)26-22-23-15-24-28(21)22/h1-3,6-7,14-15,17,19-20,25,29H,4-5,8-13H2
• InChIKey: NAXHZLJQULVYSR-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 78.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.51
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]cyclohexan-1-ol?

The IUPAC name of 2-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]cyclohexan-1-ol (CID 133376377) is 2-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]cyclohexan-1-ol.

What is the SMILES notation for 2-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]cyclohexan-1-ol?

The canonical SMILES for 2-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]cyclohexan-1-ol is OC1CCCCC1N1CCC(Nc2cc(-c3ccccc3)nc3ncnn23)CC1.

What is the InChIKey of 2-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]cyclohexan-1-ol?

The InChIKey is NAXHZLJQULVYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c29-20-9-5-4-8-19(20)27-12-10-17(11-13-27)25-21-14-18(16-6-2-1-3-7-16)26-22-23-15-24-28(21)22/h1-3,6-7,14-15,17,19-20,25,29H,4-5,8-13H2.

What are the key properties of 2-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]cyclohexan-1-ol?

2-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 392.51 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 133376377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).