(5R)-7-benzyl-5-methyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one

C19H19N5O — CID 164689494

About (5R)-7-benzyl-5-methyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one

(5R)-7-benzyl-5-methyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (PubChem CID 164689494) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is (5R)-7-benzyl-5-methyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.

Molecular Properties

• Compound Name: (5R)-7-benzyl-5-methyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
• PubChem CID: 164689494
• Molecular Formula: C19H19N5O
• Molecular Weight: 333.39 g/mol
• Exact Mass: 333.16
• IUPAC Name: (5R)-7-benzyl-5-methyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
• SMILES: C[C@@H]1C(=O)N(Cc2ccccc2)Cc2nnc(Cc3cccnc3)n21
• InChI: InChI=1S/C19H19N5O/c1-14-19(25)23(12-15-6-3-2-4-7-15)13-18-22-21-17(24(14)18)10-16-8-5-9-20-11-16/h2-9,11,14H,10,12-13H2,1H3/t14-/m1/s1
• InChIKey: MYXPSYHKDYYYBB-CQSZACIVSA-N
• XLogP: 2.37
• TPSA: 63.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.39
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5R)-7-benzyl-5-methyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?

The IUPAC name of (5R)-7-benzyl-5-methyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (CID 164689494) is (5R)-7-benzyl-5-methyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.

What is the SMILES notation for (5R)-7-benzyl-5-methyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?

The canonical SMILES for (5R)-7-benzyl-5-methyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is C[C@@H]1C(=O)N(Cc2ccccc2)Cc2nnc(Cc3cccnc3)n21.

What is the InChIKey of (5R)-7-benzyl-5-methyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?

The InChIKey is MYXPSYHKDYYYBB-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N5O/c1-14-19(25)23(12-15-6-3-2-4-7-15)13-18-22-21-17(24(14)18)10-16-8-5-9-20-11-16/h2-9,11,14H,10,12-13H2,1H3/t14-/m1/s1.

What are the key properties of (5R)-7-benzyl-5-methyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?

(5R)-7-benzyl-5-methyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one has a molecular weight of 333.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-7-benzyl-5-methyl-3-(pyridin-3-ylmethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is sourced from PubChem (CID 164689494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).