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

C17H24ClF3N6O — CID 120600096

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

3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride (PubChem CID 120600096) has the molecular formula C17H24ClF3N6O and a molecular weight of 420.87 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;hydrochloride.

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;hydrochloride
• PubChem CID: 120600096
• Molecular Formula: C17H24ClF3N6O
• Molecular Weight: 420.87 g/mol
• Exact Mass: 420.17
• IUPAC Name: 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
• SMILES: Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC1CCNC(C)C1.Cl
• InChI: InChI=1S/C17H23F3N6O.ClH/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);1H
• InChIKey: XVBMXJKUVFSXPT-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 84.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.87
LogP ≤ 5	2.37
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;hydrochloride?

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;hydrochloride (CID 120600096) is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride.

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;hydrochloride?

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;hydrochloride is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC1CCNC(C)C1.Cl.

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;hydrochloride?

The InChIKey is XVBMXJKUVFSXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N6O.ClH/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);1H.

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;hydrochloride?

3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride has a molecular weight of 420.87 g/mol, XLogP of 2.37, 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;hydrochloride is sourced from PubChem (CID 120600096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).