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

C22H24N6O2 — CID 172672738

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

[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone (PubChem CID 172672738) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is [(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
• PubChem CID: 172672738
• Molecular Formula: C22H24N6O2
• Molecular Weight: 404.47 g/mol
• Exact Mass: 404.20
• IUPAC Name: [(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
• SMILES: C[C@H]1CN(C(=O)c2ccc(N3CCOCC3)nc2)Cc2nnc(-c3ccccc3)n21
• InChI: InChI=1S/C22H24N6O2/c1-16-14-27(15-20-24-25-21(28(16)20)17-5-3-2-4-6-17)22(29)18-7-8-19(23-13-18)26-9-11-30-12-10-26/h2-8,13,16H,9-12,14-15H2,1H3/t16-/m0/s1
• InChIKey: KOXQFISILFSARJ-INIZCTEOSA-N
• XLogP: 2.39
• TPSA: 76.38 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.47
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone (CID 172672738) is [(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone.

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

The canonical SMILES for [(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone is C[C@H]1CN(C(=O)c2ccc(N3CCOCC3)nc2)Cc2nnc(-c3ccccc3)n21.

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

The InChIKey is KOXQFISILFSARJ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-16-14-27(15-20-24-25-21(28(16)20)17-5-3-2-4-6-17)22(29)18-7-8-19(23-13-18)26-9-11-30-12-10-26/h2-8,13,16H,9-12,14-15H2,1H3/t16-/m0/s1.

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

[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone has a molecular weight of 404.47 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone is sourced from PubChem (CID 172672738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).