2-methyl-3-[(3S)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine

C19H29N7 — CID 95868132

About 2-methyl-3-[(3S)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine

2-methyl-3-[(3S)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine (PubChem CID 95868132) has the molecular formula C19H29N7 and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-methyl-3-[(3S)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine.

Molecular Properties

• Compound Name: 2-methyl-3-[(3S)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
• PubChem CID: 95868132
• Molecular Formula: C19H29N7
• Molecular Weight: 355.49 g/mol
• Exact Mass: 355.25
• IUPAC Name: 2-methyl-3-[(3S)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
• SMILES: Cc1nccnc1N1CCC[C@H](c2nnc(CN3CCCCC3)n2C)C1
• InChI: InChI=1S/C19H29N7/c1-15-18(21-9-8-20-15)26-12-6-7-16(13-26)19-23-22-17(24(19)2)14-25-10-4-3-5-11-25/h8-9,16H,3-7,10-14H2,1-2H3/t16-/m0/s1
• InChIKey: IFHRNNBSOFOXFR-INIZCTEOSA-N
• XLogP: 2.28
• TPSA: 62.97 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.49
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3S)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?

The IUPAC name of 2-methyl-3-[(3S)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine (CID 95868132) is 2-methyl-3-[(3S)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine.

What is the SMILES notation for 2-methyl-3-[(3S)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?

The canonical SMILES for 2-methyl-3-[(3S)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine is Cc1nccnc1N1CCC[C@H](c2nnc(CN3CCCCC3)n2C)C1.

What is the InChIKey of 2-methyl-3-[(3S)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?

The InChIKey is IFHRNNBSOFOXFR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29N7/c1-15-18(21-9-8-20-15)26-12-6-7-16(13-26)19-23-22-17(24(19)2)14-25-10-4-3-5-11-25/h8-9,16H,3-7,10-14H2,1-2H3/t16-/m0/s1.

What are the key properties of 2-methyl-3-[(3S)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?

2-methyl-3-[(3S)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine has a molecular weight of 355.49 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-[(3S)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine is sourced from PubChem (CID 95868132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).