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

C18H25N5 — CID 95834004

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

7-[(2-methylphenyl)methyl]-3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 95834004) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 7-[(2-methylphenyl)methyl]-3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

• Compound Name: 7-[(2-methylphenyl)methyl]-3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
• PubChem CID: 95834004
• Molecular Formula: C18H25N5
• Molecular Weight: 311.43 g/mol
• Exact Mass: 311.21
• IUPAC Name: 7-[(2-methylphenyl)methyl]-3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
• SMILES: Cc1ccccc1CN1CCn2c(nnc2[C@@H]2CCCCN2)C1
• InChI: InChI=1S/C18H25N5/c1-14-6-2-3-7-15(14)12-22-10-11-23-17(13-22)20-21-18(23)16-8-4-5-9-19-16/h2-3,6-7,16,19H,4-5,8-13H2,1H3/t16-/m0/s1
• InChIKey: DVZJURAHOFMVKD-INIZCTEOSA-N
• XLogP: 2.42
• TPSA: 45.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.43
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-[(2-methylphenyl)methyl]-3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 95834004) is 7-[(2-methylphenyl)methyl]-3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

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

The canonical SMILES for 7-[(2-methylphenyl)methyl]-3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Cc1ccccc1CN1CCn2c(nnc2[C@@H]2CCCCN2)C1.

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

The InChIKey is DVZJURAHOFMVKD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N5/c1-14-6-2-3-7-15(14)12-22-10-11-23-17(13-22)20-21-18(23)16-8-4-5-9-19-16/h2-3,6-7,16,19H,4-5,8-13H2,1H3/t16-/m0/s1.

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

7-[(2-methylphenyl)methyl]-3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 311.43 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2-methylphenyl)methyl]-3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 95834004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).