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

C17H23N5O — CID 165419160

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

1-[6-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]ethanone (PubChem CID 165419160) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-[6-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 1-[6-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]ethanone
• PubChem CID: 165419160
• Molecular Formula: C17H23N5O
• Molecular Weight: 313.41 g/mol
• Exact Mass: 313.19
• IUPAC Name: 1-[6-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]ethanone
• SMILES: CC(=O)c1ccc(N2Cc3nnc(C)n3[C@@H](CC(C)C)C2)nc1
• InChI: InChI=1S/C17H23N5O/c1-11(2)7-15-9-21(10-17-20-19-13(4)22(15)17)16-6-5-14(8-18-16)12(3)23/h5-6,8,11,15H,7,9-10H2,1-4H3/t15-/m0/s1
• InChIKey: NAMTXKYTHYKSSU-HNNXBMFYSA-N
• XLogP: 2.79
• TPSA: 63.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.41
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[6-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]ethanone (CID 165419160) is 1-[6-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]ethanone.

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

The canonical SMILES for 1-[6-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]ethanone is CC(=O)c1ccc(N2Cc3nnc(C)n3[C@@H](CC(C)C)C2)nc1.

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

The InChIKey is NAMTXKYTHYKSSU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-11(2)7-15-9-21(10-17-20-19-13(4)22(15)17)16-6-5-14(8-18-16)12(3)23/h5-6,8,11,15H,7,9-10H2,1-4H3/t15-/m0/s1.

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

1-[6-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]ethanone has a molecular weight of 313.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 165419160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).