N-cycloheptyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide

C17H22F3N5O — CID 16620852

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

N-cycloheptyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide (PubChem CID 16620852) has the molecular formula C17H22F3N5O and a molecular weight of 369.39 g/mol. Its IUPAC name is N-cycloheptyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide.

Molecular Properties

• Compound Name: N-cycloheptyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
• PubChem CID: 16620852
• Molecular Formula: C17H22F3N5O
• Molecular Weight: 369.39 g/mol
• Exact Mass: 369.18
• IUPAC Name: N-cycloheptyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
• SMILES: Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC1CCCCCC1
• InChI: InChI=1S/C17H22F3N5O/c1-10-13(9-14(26)22-12-7-5-3-4-6-8-12)11(2)25-16(21-10)23-15(24-25)17(18,19)20/h12H,3-9H2,1-2H3,(H,22,26)
• InChIKey: UIWPMZTTYDYCJU-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.39
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-cycloheptyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide (CID 16620852) is N-cycloheptyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide.

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

The canonical SMILES for N-cycloheptyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC1CCCCCC1.

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

The InChIKey is UIWPMZTTYDYCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5O/c1-10-13(9-14(26)22-12-7-5-3-4-6-8-12)11(2)25-16(21-10)23-15(24-25)17(18,19)20/h12H,3-9H2,1-2H3,(H,22,26).

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

N-cycloheptyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide has a molecular weight of 369.39 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cycloheptyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide is sourced from PubChem (CID 16620852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).