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

C15H20F3N5O2 — CID 18169442

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

3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methoxypropan-2-yl)propanamide (PubChem CID 18169442) has the molecular formula C15H20F3N5O2 and a molecular weight of 359.35 g/mol. Its IUPAC name is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methoxypropan-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methoxypropan-2-yl)propanamide
• PubChem CID: 18169442
• Molecular Formula: C15H20F3N5O2
• Molecular Weight: 359.35 g/mol
• Exact Mass: 359.16
• IUPAC Name: 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methoxypropan-2-yl)propanamide
• SMILES: COCC(C)NC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C
• InChI: InChI=1S/C15H20F3N5O2/c1-8(7-25-4)19-12(24)6-5-11-9(2)20-14-21-13(15(16,17)18)22-23(14)10(11)3/h8H,5-7H2,1-4H3,(H,19,24)
• InChIKey: JUZHMRCJFXMMIO-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 81.41 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	359.35
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	1
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-(1-methoxypropan-2-yl)propanamide?

The IUPAC name of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methoxypropan-2-yl)propanamide (CID 18169442) is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methoxypropan-2-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-(1-methoxypropan-2-yl)propanamide?

The canonical SMILES for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methoxypropan-2-yl)propanamide is COCC(C)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-(1-methoxypropan-2-yl)propanamide?

The InChIKey is JUZHMRCJFXMMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O2/c1-8(7-25-4)19-12(24)6-5-11-9(2)20-14-21-13(15(16,17)18)22-23(14)10(11)3/h8H,5-7H2,1-4H3,(H,19,24).

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

3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methoxypropan-2-yl)propanamide has a molecular weight of 359.35 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 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-(1-methoxypropan-2-yl)propanamide is sourced from PubChem (CID 18169442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).