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

C19H18FN5O — CID 164697566

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

[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-fluoro-3-pyridinyl)methanone (PubChem CID 164697566) has the molecular formula C19H18FN5O and a molecular weight of 351.38 g/mol. Its IUPAC name is [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-fluoro-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-fluoro-3-pyridinyl)methanone
• PubChem CID: 164697566
• Molecular Formula: C19H18FN5O
• Molecular Weight: 351.38 g/mol
• Exact Mass: 351.15
• IUPAC Name: [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-fluoro-3-pyridinyl)methanone
• SMILES: C[C@H]1CN(C(=O)c2cncc(F)c2)Cc2nnc(Cc3ccccc3)n21
• InChI: InChI=1S/C19H18FN5O/c1-13-11-24(19(26)15-8-16(20)10-21-9-15)12-18-23-22-17(25(13)18)7-14-5-3-2-4-6-14/h2-6,8-10,13H,7,11-12H2,1H3/t13-/m0/s1
• InChIKey: DIEFMYKCFXBWDE-ZDUSSCGKSA-N
• XLogP: 2.62
• TPSA: 63.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.38
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-fluoro-3-pyridinyl)methanone (CID 164697566) is [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-fluoro-3-pyridinyl)methanone.

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

The canonical SMILES for [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-fluoro-3-pyridinyl)methanone is C[C@H]1CN(C(=O)c2cncc(F)c2)Cc2nnc(Cc3ccccc3)n21.

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

The InChIKey is DIEFMYKCFXBWDE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18FN5O/c1-13-11-24(19(26)15-8-16(20)10-21-9-15)12-18-23-22-17(25(13)18)7-14-5-3-2-4-6-14/h2-6,8-10,13H,7,11-12H2,1H3/t13-/m0/s1.

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

[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-fluoro-3-pyridinyl)methanone has a molecular weight of 351.38 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 164697566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).