1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone

C19H25N5O2 — CID 110263652

About 1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone

1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone (PubChem CID 110263652) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

• Compound Name: 1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone
• PubChem CID: 110263652
• Molecular Formula: C19H25N5O2
• Molecular Weight: 355.44 g/mol
• Exact Mass: 355.20
• IUPAC Name: 1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone
• SMILES: CN1CCn2c(nnc2C2CCCCN2C(=O)COc2ccccc2)C1
• InChI: InChI=1S/C19H25N5O2/c1-22-11-12-24-17(13-22)20-21-19(24)16-9-5-6-10-23(16)18(25)14-26-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3
• InChIKey: PDJMZFLWGKFNTR-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 63.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.44
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone?

The IUPAC name of 1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone (CID 110263652) is 1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone.

What is the SMILES notation for 1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone?

The canonical SMILES for 1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone is CN1CCn2c(nnc2C2CCCCN2C(=O)COc2ccccc2)C1.

What is the InChIKey of 1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone?

The InChIKey is PDJMZFLWGKFNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-22-11-12-24-17(13-22)20-21-19(24)16-9-5-6-10-23(16)18(25)14-26-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-14H2,1H3.

What are the key properties of 1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone?

1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 355.44 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 110263652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).