1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-pentan-2-ylpiperidine-3-carboxamide

C18H28N6O — CID 49431473

About 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-pentan-2-ylpiperidine-3-carboxamide

1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-pentan-2-ylpiperidine-3-carboxamide (PubChem CID 49431473) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-pentan-2-ylpiperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-pentan-2-ylpiperidine-3-carboxamide
• PubChem CID: 49431473
• Molecular Formula: C18H28N6O
• Molecular Weight: 344.46 g/mol
• Exact Mass: 344.23
• IUPAC Name: 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-pentan-2-ylpiperidine-3-carboxamide
• SMILES: CCCC(C)NC(=O)C1CCCN(c2cc(CC)nc3ncnn23)C1
• InChI: InChI=1S/C18H28N6O/c1-4-7-13(3)21-17(25)14-8-6-9-23(11-14)16-10-15(5-2)22-18-19-12-20-24(16)18/h10,12-14H,4-9,11H2,1-3H3,(H,21,25)
• InChIKey: QGYYXCPRWAKSEG-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.46
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-pentan-2-ylpiperidine-3-carboxamide?

The IUPAC name of 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-pentan-2-ylpiperidine-3-carboxamide (CID 49431473) is 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-pentan-2-ylpiperidine-3-carboxamide.

What is the SMILES notation for 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-pentan-2-ylpiperidine-3-carboxamide?

The canonical SMILES for 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-pentan-2-ylpiperidine-3-carboxamide is CCCC(C)NC(=O)C1CCCN(c2cc(CC)nc3ncnn23)C1.

What is the InChIKey of 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-pentan-2-ylpiperidine-3-carboxamide?

The InChIKey is QGYYXCPRWAKSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-4-7-13(3)21-17(25)14-8-6-9-23(11-14)16-10-15(5-2)22-18-19-12-20-24(16)18/h10,12-14H,4-9,11H2,1-3H3,(H,21,25).

What are the key properties of 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-pentan-2-ylpiperidine-3-carboxamide?

1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-pentan-2-ylpiperidine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-pentan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 49431473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).