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

C21H29N5O2 — CID 110263634

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

2-(2,6-dimethylphenoxy)-1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone (PubChem CID 110263634) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2,6-dimethylphenoxy)-1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
• PubChem CID: 110263634
• Molecular Formula: C21H29N5O2
• Molecular Weight: 383.50 g/mol
• Exact Mass: 383.23
• IUPAC Name: 2-(2,6-dimethylphenoxy)-1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
• SMILES: Cc1cccc(C)c1OCC(=O)N1CCCCC1c1nnc2n1CCN(C)C2
• InChI: InChI=1S/C21H29N5O2/c1-15-7-6-8-16(2)20(15)28-14-19(27)25-10-5-4-9-17(25)21-23-22-18-13-24(3)11-12-26(18)21/h6-8,17H,4-5,9-14H2,1-3H3
• InChIKey: FUXXFRGQROKJMA-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 63.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.50
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(2,6-dimethylphenoxy)-1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone (CID 110263634) is 2-(2,6-dimethylphenoxy)-1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone.

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

The canonical SMILES for 2-(2,6-dimethylphenoxy)-1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone is Cc1cccc(C)c1OCC(=O)N1CCCCC1c1nnc2n1CCN(C)C2.

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

The InChIKey is FUXXFRGQROKJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-15-7-6-8-16(2)20(15)28-14-19(27)25-10-5-4-9-17(25)21-23-22-18-13-24(3)11-12-26(18)21/h6-8,17H,4-5,9-14H2,1-3H3.

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

2-(2,6-dimethylphenoxy)-1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone has a molecular weight of 383.50 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dimethylphenoxy)-1-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110263634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).