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

C16H22F3N5O — CID 134030154

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

3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-pentan-3-ylpropanamide (PubChem CID 134030154) has the molecular formula C16H22F3N5O and a molecular weight of 357.38 g/mol. Its IUPAC name is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-pentan-3-ylpropanamide.

Molecular Properties

• Compound Name: 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-pentan-3-ylpropanamide
• PubChem CID: 134030154
• Molecular Formula: C16H22F3N5O
• Molecular Weight: 357.38 g/mol
• Exact Mass: 357.18
• IUPAC Name: 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-pentan-3-ylpropanamide
• SMILES: CCC(CC)NC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C
• InChI: InChI=1S/C16H22F3N5O/c1-5-11(6-2)21-13(25)8-7-12-9(3)20-15-22-14(16(17,18)19)23-24(15)10(12)4/h11H,5-8H2,1-4H3,(H,21,25)
• InChIKey: ZEFHOICNOGQOGJ-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.38
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-pentan-3-ylpropanamide?

The IUPAC name of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-pentan-3-ylpropanamide (CID 134030154) is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-pentan-3-ylpropanamide.

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

The canonical SMILES for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C.

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

The InChIKey is ZEFHOICNOGQOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5O/c1-5-11(6-2)21-13(25)8-7-12-9(3)20-15-22-14(16(17,18)19)23-24(15)10(12)4/h11H,5-8H2,1-4H3,(H,21,25).

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

3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-pentan-3-ylpropanamide has a molecular weight of 357.38 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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-pentan-3-ylpropanamide is sourced from PubChem (CID 134030154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).