8-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

C18H19N7 — CID 124886974

About 8-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

8-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 124886974) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 8-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

• Compound Name: 8-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
• PubChem CID: 124886974
• Molecular Formula: C18H19N7
• Molecular Weight: 333.40 g/mol
• Exact Mass: 333.17
• IUPAC Name: 8-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
• SMILES: Cc1ccc2nc([C@@H]3CCCN(c4nccn5cnnc45)C3)[nH]c2c1
• InChI: InChI=1S/C18H19N7/c1-12-4-5-14-15(9-12)22-16(21-14)13-3-2-7-24(10-13)17-18-23-20-11-25(18)8-6-19-17/h4-6,8-9,11,13H,2-3,7,10H2,1H3,(H,21,22)/t13-/m1/s1
• InChIKey: JXKQRHVRGJDVAR-CYBMUJFWSA-N
• XLogP: 2.69
• TPSA: 75.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.40
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?

The IUPAC name of 8-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 124886974) is 8-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

What is the SMILES notation for 8-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?

The canonical SMILES for 8-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is Cc1ccc2nc([C@@H]3CCCN(c4nccn5cnnc45)C3)[nH]c2c1.

What is the InChIKey of 8-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?

The InChIKey is JXKQRHVRGJDVAR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N7/c1-12-4-5-14-15(9-12)22-16(21-14)13-3-2-7-24(10-13)17-18-23-20-11-25(18)8-6-19-17/h4-6,8-9,11,13H,2-3,7,10H2,1H3,(H,21,22)/t13-/m1/s1.

What are the key properties of 8-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?

8-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 333.40 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 124886974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).