(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C17H16F3N7O — CID 26900188

About (7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 26900188) has the molecular formula C17H16F3N7O and a molecular weight of 391.36 g/mol. Its IUPAC name is (7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
• PubChem CID: 26900188
• Molecular Formula: C17H16F3N7O
• Molecular Weight: 391.36 g/mol
• Exact Mass: 391.14
• IUPAC Name: (7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
• SMILES: Cc1ccnc2nc(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)nn12
• InChI: InChI=1S/C17H16F3N7O/c1-11-4-5-21-16-23-14(24-27(11)16)15(28)26-8-6-25(7-9-26)13-3-2-12(10-22-13)17(18,19)20/h2-5,10H,6-9H2,1H3
• InChIKey: AEBNYTXFSNFGEO-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 79.52 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.36
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?

The IUPAC name of (7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 26900188) is (7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

What is the SMILES notation for (7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?

The canonical SMILES for (7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is Cc1ccnc2nc(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)nn12.

What is the InChIKey of (7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?

The InChIKey is AEBNYTXFSNFGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N7O/c1-11-4-5-21-16-23-14(24-27(11)16)15(28)26-8-6-25(7-9-26)13-3-2-12(10-22-13)17(18,19)20/h2-5,10H,6-9H2,1H3.

What are the key properties of (7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?

(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 391.36 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 26900188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).