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

C23H26FN5 — CID 110262123

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

7-[[2-(2-fluorophenyl)phenyl]methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 110262123) has the molecular formula C23H26FN5 and a molecular weight of 391.49 g/mol. Its IUPAC name is 7-[[2-(2-fluorophenyl)phenyl]methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

• Compound Name: 7-[[2-(2-fluorophenyl)phenyl]methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
• PubChem CID: 110262123
• Molecular Formula: C23H26FN5
• Molecular Weight: 391.49 g/mol
• Exact Mass: 391.22
• IUPAC Name: 7-[[2-(2-fluorophenyl)phenyl]methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
• SMILES: Fc1ccccc1-c1ccccc1CN1CCn2c(nnc2C2CCCNC2)C1
• InChI: InChI=1S/C23H26FN5/c24-21-10-4-3-9-20(21)19-8-2-1-6-18(19)15-28-12-13-29-22(16-28)26-27-23(29)17-7-5-11-25-14-17/h1-4,6,8-10,17,25H,5,7,11-16H2
• InChIKey: AMLWOIZFZNIUCK-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 45.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.49
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-[[2-(2-fluorophenyl)phenyl]methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 110262123) is 7-[[2-(2-fluorophenyl)phenyl]methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

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

The canonical SMILES for 7-[[2-(2-fluorophenyl)phenyl]methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Fc1ccccc1-c1ccccc1CN1CCn2c(nnc2C2CCCNC2)C1.

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

The InChIKey is AMLWOIZFZNIUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5/c24-21-10-4-3-9-20(21)19-8-2-1-6-18(19)15-28-12-13-29-22(16-28)26-27-23(29)17-7-5-11-25-14-17/h1-4,6,8-10,17,25H,5,7,11-16H2.

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

7-[[2-(2-fluorophenyl)phenyl]methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 391.49 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[2-(2-fluorophenyl)phenyl]methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 110262123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).