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

C20H21N5O2 — CID 164698739

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

[(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methoxy-2-pyridinyl)methanone (PubChem CID 164698739) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methoxy-2-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methoxy-2-pyridinyl)methanone
• PubChem CID: 164698739
• Molecular Formula: C20H21N5O2
• Molecular Weight: 363.42 g/mol
• Exact Mass: 363.17
• IUPAC Name: [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methoxy-2-pyridinyl)methanone
• SMILES: COc1ccnc(C(=O)N2Cc3nnc(C)n3[C@H](Cc3ccccc3)C2)c1
• InChI: InChI=1S/C20H21N5O2/c1-14-22-23-19-13-24(20(26)18-11-17(27-2)8-9-21-18)12-16(25(14)19)10-15-6-4-3-5-7-15/h3-9,11,16H,10,12-13H2,1-2H3/t16-/m1/s1
• InChIKey: NWQZHQQZKPEDHU-MRXNPFEDSA-N
• XLogP: 2.43
• TPSA: 73.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.42
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methoxy-2-pyridinyl)methanone (CID 164698739) is [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methoxy-2-pyridinyl)methanone.

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

The canonical SMILES for [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methoxy-2-pyridinyl)methanone is COc1ccnc(C(=O)N2Cc3nnc(C)n3[C@H](Cc3ccccc3)C2)c1.

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

The InChIKey is NWQZHQQZKPEDHU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14-22-23-19-13-24(20(26)18-11-17(27-2)8-9-21-18)12-16(25(14)19)10-15-6-4-3-5-7-15/h3-9,11,16H,10,12-13H2,1-2H3/t16-/m1/s1.

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

[(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methoxy-2-pyridinyl)methanone has a molecular weight of 363.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 164698739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).