2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide

C17H19F3N8O — CID 55932497

About 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (PubChem CID 55932497) has the molecular formula C17H19F3N8O and a molecular weight of 408.39 g/mol. Its IUPAC name is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
• PubChem CID: 55932497
• Molecular Formula: C17H19F3N8O
• Molecular Weight: 408.39 g/mol
• Exact Mass: 408.16
• IUPAC Name: 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
• SMILES: Cc1nc2nc(N)nn2c(C)c1CC(=O)NCCNc1ncccc1C(F)(F)F
• InChI: InChI=1S/C17H19F3N8O/c1-9-11(10(2)28-16(25-9)26-15(21)27-28)8-13(29)22-6-7-24-14-12(17(18,19)20)4-3-5-23-14/h3-5H,6-8H2,1-2H3,(H2,21,27)(H,22,29)(H,23,24)
• InChIKey: GKFAJZCIIPMDDV-UHFFFAOYSA-N
• XLogP: 1.51
• TPSA: 123.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.39
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (CID 55932497) is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.

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

The canonical SMILES for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is Cc1nc2nc(N)nn2c(C)c1CC(=O)NCCNc1ncccc1C(F)(F)F.

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

The InChIKey is GKFAJZCIIPMDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N8O/c1-9-11(10(2)28-16(25-9)26-15(21)27-28)8-13(29)22-6-7-24-14-12(17(18,19)20)4-3-5-23-14/h3-5H,6-8H2,1-2H3,(H2,21,27)(H,22,29)(H,23,24).

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

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide has a molecular weight of 408.39 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is sourced from PubChem (CID 55932497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).