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

C20H22N6O — CID 164693756

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

[2-(dimethylamino)-3-pyridinyl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 164693756) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is [2-(dimethylamino)-3-pyridinyl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: [2-(dimethylamino)-3-pyridinyl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
• PubChem CID: 164693756
• Molecular Formula: C20H22N6O
• Molecular Weight: 362.44 g/mol
• Exact Mass: 362.19
• IUPAC Name: [2-(dimethylamino)-3-pyridinyl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
• SMILES: C[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1cccnc1N(C)C
• InChI: InChI=1S/C20H22N6O/c1-14-18-22-17(15-8-5-4-6-9-15)23-26(18)13-12-25(14)20(27)16-10-7-11-21-19(16)24(2)3/h4-11,14H,12-13H2,1-3H3/t14-/m0/s1
• InChIKey: UCFNBARMTBWZAG-AWEZNQCLSA-N
• XLogP: 2.62
• TPSA: 67.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.44
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [2-(dimethylamino)-3-pyridinyl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (CID 164693756) is [2-(dimethylamino)-3-pyridinyl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone.

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

The canonical SMILES for [2-(dimethylamino)-3-pyridinyl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone is C[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1cccnc1N(C)C.

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

The InChIKey is UCFNBARMTBWZAG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N6O/c1-14-18-22-17(15-8-5-4-6-9-15)23-26(18)13-12-25(14)20(27)16-10-7-11-21-19(16)24(2)3/h4-11,14H,12-13H2,1-3H3/t14-/m0/s1.

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

[2-(dimethylamino)-3-pyridinyl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 362.44 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(dimethylamino)-3-pyridinyl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 164693756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).