7-(4-benzylpiperidine-1-carbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid

C20H25N5O3 — CID 122072792

About 7-(4-benzylpiperidine-1-carbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid

7-(4-benzylpiperidine-1-carbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid (PubChem CID 122072792) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 7-(4-benzylpiperidine-1-carbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid.

Molecular Properties

• Compound Name: 7-(4-benzylpiperidine-1-carbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
• PubChem CID: 122072792
• Molecular Formula: C20H25N5O3
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.20
• IUPAC Name: 7-(4-benzylpiperidine-1-carbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
• SMILES: Cc1nnc2n1CC(C(=O)O)N(C(=O)N1CCC(Cc3ccccc3)CC1)C2
• InChI: InChI=1S/C20H25N5O3/c1-14-21-22-18-13-25(17(19(26)27)12-24(14)18)20(28)23-9-7-16(8-10-23)11-15-5-3-2-4-6-15/h2-6,16-17H,7-13H2,1H3,(H,26,27)
• InChIKey: WAIBTERYCPSTDL-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 91.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(4-benzylpiperidine-1-carbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid?

The IUPAC name of 7-(4-benzylpiperidine-1-carbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid (CID 122072792) is 7-(4-benzylpiperidine-1-carbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid.

What is the SMILES notation for 7-(4-benzylpiperidine-1-carbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid?

The canonical SMILES for 7-(4-benzylpiperidine-1-carbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid is Cc1nnc2n1CC(C(=O)O)N(C(=O)N1CCC(Cc3ccccc3)CC1)C2.

What is the InChIKey of 7-(4-benzylpiperidine-1-carbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid?

The InChIKey is WAIBTERYCPSTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-14-21-22-18-13-25(17(19(26)27)12-24(14)18)20(28)23-9-7-16(8-10-23)11-15-5-3-2-4-6-15/h2-6,16-17H,7-13H2,1H3,(H,26,27).

What are the key properties of 7-(4-benzylpiperidine-1-carbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid?

7-(4-benzylpiperidine-1-carbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid has a molecular weight of 383.45 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-benzylpiperidine-1-carbonyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid is sourced from PubChem (CID 122072792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).