1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanone

C18H26N6O2S — CID 164691437

About 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanone

1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanone (PubChem CID 164691437) has the molecular formula C18H26N6O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanone.

Molecular Properties

• Compound Name: 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanone
• PubChem CID: 164691437
• Molecular Formula: C18H26N6O2S
• Molecular Weight: 390.51 g/mol
• Exact Mass: 390.18
• IUPAC Name: 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanone
• SMILES: Cc1noc(CSCC(=O)N2CCn3nc(C4CC4)nc3[C@@H]2CC(C)C)n1
• InChI: InChI=1S/C18H26N6O2S/c1-11(2)8-14-18-20-17(13-4-5-13)21-24(18)7-6-23(14)16(25)10-27-9-15-19-12(3)22-26-15/h11,13-14H,4-10H2,1-3H3/t14-/m0/s1
• InChIKey: GUPYHPININWTAU-AWEZNQCLSA-N
• XLogP: 2.71
• TPSA: 89.94 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.51
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanone?

The IUPAC name of 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanone (CID 164691437) is 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanone.

What is the SMILES notation for 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanone?

The canonical SMILES for 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanone is Cc1noc(CSCC(=O)N2CCn3nc(C4CC4)nc3[C@@H]2CC(C)C)n1.

What is the InChIKey of 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanone?

The InChIKey is GUPYHPININWTAU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N6O2S/c1-11(2)8-14-18-20-17(13-4-5-13)21-24(18)7-6-23(14)16(25)10-27-9-15-19-12(3)22-26-15/h11,13-14H,4-10H2,1-3H3/t14-/m0/s1.

What are the key properties of 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanone?

1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanone has a molecular weight of 390.51 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanone is sourced from PubChem (CID 164691437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).