2-[8-[cyclohexyl(methyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2,5-difluorophenyl)acetamide

C20H22F2N6O2 — CID 53142445

About 2-[8-[cyclohexyl(methyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2,5-difluorophenyl)acetamide

2-[8-[cyclohexyl(methyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2,5-difluorophenyl)acetamide (PubChem CID 53142445) has the molecular formula C20H22F2N6O2 and a molecular weight of 416.43 g/mol. Its IUPAC name is 2-[8-[cyclohexyl(methyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[8-[cyclohexyl(methyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2,5-difluorophenyl)acetamide
• PubChem CID: 53142445
• Molecular Formula: C20H22F2N6O2
• Molecular Weight: 416.43 g/mol
• Exact Mass: 416.18
• IUPAC Name: 2-[8-[cyclohexyl(methyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2,5-difluorophenyl)acetamide
• SMILES: CN(c1nccn2c(=O)n(CC(=O)Nc3cc(F)ccc3F)nc12)C1CCCCC1
• InChI: InChI=1S/C20H22F2N6O2/c1-26(14-5-3-2-4-6-14)18-19-25-28(20(30)27(19)10-9-23-18)12-17(29)24-16-11-13(21)7-8-15(16)22/h7-11,14H,2-6,12H2,1H3,(H,24,29)
• InChIKey: TXCAQMIRWRPQFX-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 84.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.43
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[8-[cyclohexyl(methyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2,5-difluorophenyl)acetamide?

The IUPAC name of 2-[8-[cyclohexyl(methyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2,5-difluorophenyl)acetamide (CID 53142445) is 2-[8-[cyclohexyl(methyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2,5-difluorophenyl)acetamide.

What is the SMILES notation for 2-[8-[cyclohexyl(methyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2,5-difluorophenyl)acetamide?

The canonical SMILES for 2-[8-[cyclohexyl(methyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2,5-difluorophenyl)acetamide is CN(c1nccn2c(=O)n(CC(=O)Nc3cc(F)ccc3F)nc12)C1CCCCC1.

What is the InChIKey of 2-[8-[cyclohexyl(methyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2,5-difluorophenyl)acetamide?

The InChIKey is TXCAQMIRWRPQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6O2/c1-26(14-5-3-2-4-6-14)18-19-25-28(20(30)27(19)10-9-23-18)12-17(29)24-16-11-13(21)7-8-15(16)22/h7-11,14H,2-6,12H2,1H3,(H,24,29).

What are the key properties of 2-[8-[cyclohexyl(methyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2,5-difluorophenyl)acetamide?

2-[8-[cyclohexyl(methyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2,5-difluorophenyl)acetamide has a molecular weight of 416.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-[cyclohexyl(methyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 53142445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).