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

C22H31N5O2 — CID 110262039

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

7-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 110262039) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 7-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

• Compound Name: 7-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
• PubChem CID: 110262039
• Molecular Formula: C22H31N5O2
• Molecular Weight: 397.52 g/mol
• Exact Mass: 397.25
• IUPAC Name: 7-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
• SMILES: c1ccc(OCC2CCCO2)c(CN2CCn3c(nnc3C3CCNCC3)C2)c1
• InChI: InChI=1S/C22H31N5O2/c1-2-6-20(29-16-19-5-3-13-28-19)18(4-1)14-26-11-12-27-21(15-26)24-25-22(27)17-7-9-23-10-8-17/h1-2,4,6,17,19,23H,3,5,7-16H2
• InChIKey: JCNUCFGCZLUNMP-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 64.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.52
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 7-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 110262039) is 7-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

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

The canonical SMILES for 7-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is c1ccc(OCC2CCCO2)c(CN2CCn3c(nnc3C3CCNCC3)C2)c1.

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

The InChIKey is JCNUCFGCZLUNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-2-6-20(29-16-19-5-3-13-28-19)18(4-1)14-26-11-12-27-21(15-26)24-25-22(27)17-7-9-23-10-8-17/h1-2,4,6,17,19,23H,3,5,7-16H2.

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

7-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 397.52 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]-3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 110262039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).