(2-methoxyphenyl) 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate

C26H32N6O5 — CID 58783573

About (2-methoxyphenyl) 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate

(2-methoxyphenyl) 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate (PubChem CID 58783573) has the molecular formula C26H32N6O5 and a molecular weight of 508.58 g/mol. Its IUPAC name is (2-methoxyphenyl) 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate.

Molecular Properties

• Compound Name: (2-methoxyphenyl) 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
• PubChem CID: 58783573
• Molecular Formula: C26H32N6O5
• Molecular Weight: 508.58 g/mol
• Exact Mass: 508.24
• IUPAC Name: (2-methoxyphenyl) 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
• SMILES: COc1ccccc1OC(=O)N1CCn2c(nnc2[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)C1
• InChI: InChI=1S/C26H32N6O5/c1-26(2,27)24(33)28-19(17-36-16-18-9-5-4-6-10-18)23-30-29-22-15-31(13-14-32(22)23)25(34)37-21-12-8-7-11-20(21)35-3/h4-12,19H,13-17,27H2,1-3H3,(H,28,33)/t19-/m1/s1
• InChIKey: SFASOEWHBWPAOI-LJQANCHMSA-N
• XLogP: 2.41
• TPSA: 133.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.58
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?

The IUPAC name of (2-methoxyphenyl) 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate (CID 58783573) is (2-methoxyphenyl) 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate.

What is the SMILES notation for (2-methoxyphenyl) 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?

The canonical SMILES for (2-methoxyphenyl) 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate is COc1ccccc1OC(=O)N1CCn2c(nnc2[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)C1.

What is the InChIKey of (2-methoxyphenyl) 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?

The InChIKey is SFASOEWHBWPAOI-LJQANCHMSA-N. The full InChI is InChI=1S/C26H32N6O5/c1-26(2,27)24(33)28-19(17-36-16-18-9-5-4-6-10-18)23-30-29-22-15-31(13-14-32(22)23)25(34)37-21-12-8-7-11-20(21)35-3/h4-12,19H,13-17,27H2,1-3H3,(H,28,33)/t19-/m1/s1.

What are the key properties of (2-methoxyphenyl) 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate?

(2-methoxyphenyl) 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate has a molecular weight of 508.58 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methoxyphenyl) 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate is sourced from PubChem (CID 58783573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).