[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone

C20H24N6O — CID 164693298

About [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone

[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 164693298) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

• Compound Name: [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
• PubChem CID: 164693298
• Molecular Formula: C20H24N6O
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.20
• IUPAC Name: [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
• SMILES: CC(C)c1cc(C(=O)N2CCn3nc(-c4ccccc4)nc3[C@@H]2C)n(C)n1
• InChI: InChI=1S/C20H24N6O/c1-13(2)16-12-17(24(4)22-16)20(27)25-10-11-26-19(14(25)3)21-18(23-26)15-8-6-5-7-9-15/h5-9,12-14H,10-11H2,1-4H3/t14-/m0/s1
• InChIKey: JKZXZVOGXXNNGY-AWEZNQCLSA-N
• XLogP: 3.02
• TPSA: 68.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?

The IUPAC name of [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone (CID 164693298) is [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone.

What is the SMILES notation for [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?

The canonical SMILES for [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone is CC(C)c1cc(C(=O)N2CCn3nc(-c4ccccc4)nc3[C@@H]2C)n(C)n1.

What is the InChIKey of [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?

The InChIKey is JKZXZVOGXXNNGY-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13(2)16-12-17(24(4)22-16)20(27)25-10-11-26-19(14(25)3)21-18(23-26)15-8-6-5-7-9-15/h5-9,12-14H,10-11H2,1-4H3/t14-/m0/s1.

What are the key properties of [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?

[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 364.45 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 164693298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).