3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylpiperidin-4-yl)propanamide

C17H23F3N6O — CID 120600097

About 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylpiperidin-4-yl)propanamide

3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylpiperidin-4-yl)propanamide (PubChem CID 120600097) has the molecular formula C17H23F3N6O and a molecular weight of 384.41 g/mol. Its IUPAC name is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylpiperidin-4-yl)propanamide.

Molecular Properties

• Compound Name: 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylpiperidin-4-yl)propanamide
• PubChem CID: 120600097
• Molecular Formula: C17H23F3N6O
• Molecular Weight: 384.41 g/mol
• Exact Mass: 384.19
• IUPAC Name: 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylpiperidin-4-yl)propanamide
• SMILES: Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC1CCNC(C)C1
• InChI: InChI=1S/C17H23F3N6O/c1-9-8-12(6-7-21-9)23-14(27)5-4-13-10(2)22-16-24-15(17(18,19)20)25-26(16)11(13)3/h9,12,21H,4-8H2,1-3H3,(H,23,27)
• InChIKey: FOILODDVUJGHLO-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 84.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.41
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylpiperidin-4-yl)propanamide?

The IUPAC name of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylpiperidin-4-yl)propanamide (CID 120600097) is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylpiperidin-4-yl)propanamide.

What is the SMILES notation for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylpiperidin-4-yl)propanamide?

The canonical SMILES for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylpiperidin-4-yl)propanamide is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC1CCNC(C)C1.

What is the InChIKey of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylpiperidin-4-yl)propanamide?

The InChIKey is FOILODDVUJGHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N6O/c1-9-8-12(6-7-21-9)23-14(27)5-4-13-10(2)22-16-24-15(17(18,19)20)25-26(16)11(13)3/h9,12,21H,4-8H2,1-3H3,(H,23,27).

What are the key properties of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylpiperidin-4-yl)propanamide?

3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylpiperidin-4-yl)propanamide has a molecular weight of 384.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 120600097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).