N-[[6-[(2S)-1-[4-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide

C17H23N7O2 — CID 125020334

About N-[[6-[(2S)-1-[4-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide

N-[[6-[(2S)-1-[4-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide (PubChem CID 125020334) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[[6-[(2S)-1-[4-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[6-[(2S)-1-[4-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
• PubChem CID: 125020334
• Molecular Formula: C17H23N7O2
• Molecular Weight: 357.42 g/mol
• Exact Mass: 357.19
• IUPAC Name: N-[[6-[(2S)-1-[4-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
• SMILES: CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)CCCn2cncn2)n1
• InChI: InChI=1S/C17H23N7O2/c1-13(25)20-9-14-8-18-10-15(22-14)16-4-2-7-24(16)17(26)5-3-6-23-12-19-11-21-23/h8,10-12,16H,2-7,9H2,1H3,(H,20,25)/t16-/m0/s1
• InChIKey: YBZNLZNXSVJLGC-INIZCTEOSA-N
• XLogP: 0.85
• TPSA: 105.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.42
LogP ≤ 5	0.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2S)-1-[4-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?

The IUPAC name of N-[[6-[(2S)-1-[4-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide (CID 125020334) is N-[[6-[(2S)-1-[4-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide.

What is the SMILES notation for N-[[6-[(2S)-1-[4-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?

The canonical SMILES for N-[[6-[(2S)-1-[4-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide is CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)CCCn2cncn2)n1.

What is the InChIKey of N-[[6-[(2S)-1-[4-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?

The InChIKey is YBZNLZNXSVJLGC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-13(25)20-9-14-8-18-10-15(22-14)16-4-2-7-24(16)17(26)5-3-6-23-12-19-11-21-23/h8,10-12,16H,2-7,9H2,1H3,(H,20,25)/t16-/m0/s1.

What are the key properties of N-[[6-[(2S)-1-[4-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?

N-[[6-[(2S)-1-[4-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide has a molecular weight of 357.42 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[(2S)-1-[4-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 125020334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).