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

C20H21N5O2 — CID 164697119

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

(5-methoxy-2-methyl-4-pyridinyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 164697119) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is (5-methoxy-2-methyl-4-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: (5-methoxy-2-methyl-4-pyridinyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
• PubChem CID: 164697119
• Molecular Formula: C20H21N5O2
• Molecular Weight: 363.42 g/mol
• Exact Mass: 363.17
• IUPAC Name: (5-methoxy-2-methyl-4-pyridinyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
• SMILES: COc1cnc(C)cc1C(=O)N1CCn2nc(-c3ccccc3)nc2[C@@H]1C
• InChI: InChI=1S/C20H21N5O2/c1-13-11-16(17(27-3)12-21-13)20(26)24-9-10-25-19(14(24)2)22-18(23-25)15-7-5-4-6-8-15/h4-8,11-12,14H,9-10H2,1-3H3/t14-/m0/s1
• InChIKey: NRZJVFFXWWRJEH-AWEZNQCLSA-N
• XLogP: 2.87
• TPSA: 73.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.42
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-methyl-4-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 (5-methoxy-2-methyl-4-pyridinyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (CID 164697119) is (5-methoxy-2-methyl-4-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 (5-methoxy-2-methyl-4-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 (5-methoxy-2-methyl-4-pyridinyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone is COc1cnc(C)cc1C(=O)N1CCn2nc(-c3ccccc3)nc2[C@@H]1C.

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

The InChIKey is NRZJVFFXWWRJEH-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-11-16(17(27-3)12-21-13)20(26)24-9-10-25-19(14(24)2)22-18(23-25)15-7-5-4-6-8-15/h4-8,11-12,14H,9-10H2,1-3H3/t14-/m0/s1.

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

(5-methoxy-2-methyl-4-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 363.42 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methoxy-2-methyl-4-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 164697119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).