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

C19H26N6O — CID 165424265

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

(2S)-2-amino-2-cyclohexyl-1-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (PubChem CID 165424265) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohexyl-1-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone.

Molecular Properties

• Compound Name: (2S)-2-amino-2-cyclohexyl-1-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
• PubChem CID: 165424265
• Molecular Formula: C19H26N6O
• Molecular Weight: 354.46 g/mol
• Exact Mass: 354.22
• IUPAC Name: (2S)-2-amino-2-cyclohexyl-1-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
• SMILES: C[C@H]1CN(C(=O)[C@@H](N)C2CCCCC2)Cc2nnc(-c3ccccn3)n21
• InChI: InChI=1S/C19H26N6O/c1-13-11-24(19(26)17(20)14-7-3-2-4-8-14)12-16-22-23-18(25(13)16)15-9-5-6-10-21-15/h5-6,9-10,13-14,17H,2-4,7-8,11-12,20H2,1H3/t13-,17-/m0/s1
• InChIKey: BQGWSAQMIYJZOX-GUYCJALGSA-N
• XLogP: 2.15
• TPSA: 89.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.46
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2S)-2-amino-2-cyclohexyl-1-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (CID 165424265) is (2S)-2-amino-2-cyclohexyl-1-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone.

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

The canonical SMILES for (2S)-2-amino-2-cyclohexyl-1-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is C[C@H]1CN(C(=O)[C@@H](N)C2CCCCC2)Cc2nnc(-c3ccccn3)n21.

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

The InChIKey is BQGWSAQMIYJZOX-GUYCJALGSA-N. The full InChI is InChI=1S/C19H26N6O/c1-13-11-24(19(26)17(20)14-7-3-2-4-8-14)12-16-22-23-18(25(13)16)15-9-5-6-10-21-15/h5-6,9-10,13-14,17H,2-4,7-8,11-12,20H2,1H3/t13-,17-/m0/s1.

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

(2S)-2-amino-2-cyclohexyl-1-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone has a molecular weight of 354.46 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-2-cyclohexyl-1-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 165424265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).