(2-methyl-1-benzofuran-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone

C22H20N4O2 — CID 164695139

About (2-methyl-1-benzofuran-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone

(2-methyl-1-benzofuran-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 164695139) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is (2-methyl-1-benzofuran-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: (2-methyl-1-benzofuran-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
• PubChem CID: 164695139
• Molecular Formula: C22H20N4O2
• Molecular Weight: 372.43 g/mol
• Exact Mass: 372.16
• IUPAC Name: (2-methyl-1-benzofuran-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
• SMILES: Cc1cc2cc(C(=O)N3CCn4nc(-c5ccccc5)nc4[C@@H]3C)ccc2o1
• InChI: InChI=1S/C22H20N4O2/c1-14-12-18-13-17(8-9-19(18)28-14)22(27)25-10-11-26-21(15(25)2)23-20(24-26)16-6-4-3-5-7-16/h3-9,12-13,15H,10-11H2,1-2H3/t15-/m0/s1
• InChIKey: NEJNPBCOYRXTND-HNNXBMFYSA-N
• XLogP: 4.22
• TPSA: 64.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.43
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-benzofuran-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?

The IUPAC name of (2-methyl-1-benzofuran-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (CID 164695139) is (2-methyl-1-benzofuran-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone.

What is the SMILES notation for (2-methyl-1-benzofuran-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?

The canonical SMILES for (2-methyl-1-benzofuran-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone is Cc1cc2cc(C(=O)N3CCn4nc(-c5ccccc5)nc4[C@@H]3C)ccc2o1.

What is the InChIKey of (2-methyl-1-benzofuran-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?

The InChIKey is NEJNPBCOYRXTND-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-14-12-18-13-17(8-9-19(18)28-14)22(27)25-10-11-26-21(15(25)2)23-20(24-26)16-6-4-3-5-7-16/h3-9,12-13,15H,10-11H2,1-2H3/t15-/m0/s1.

What are the key properties of (2-methyl-1-benzofuran-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?

(2-methyl-1-benzofuran-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 372.43 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methyl-1-benzofuran-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 164695139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).