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

C19H19N5O2 — CID 164698321

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

(3-methoxy-4-pyridinyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 164698321) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is (3-methoxy-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: (3-methoxy-4-pyridinyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
• PubChem CID: 164698321
• Molecular Formula: C19H19N5O2
• Molecular Weight: 349.39 g/mol
• Exact Mass: 349.15
• IUPAC Name: (3-methoxy-4-pyridinyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
• SMILES: COc1cnccc1C(=O)N1CCn2nc(-c3ccccc3)nc2[C@@H]1C
• InChI: InChI=1S/C19H19N5O2/c1-13-18-21-17(14-6-4-3-5-7-14)22-24(18)11-10-23(13)19(25)15-8-9-20-12-16(15)26-2/h3-9,12-13H,10-11H2,1-2H3/t13-/m0/s1
• InChIKey: XXIZKIYRFOIMLE-ZDUSSCGKSA-N
• XLogP: 2.57
• TPSA: 73.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.39
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-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 (3-methoxy-4-pyridinyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (CID 164698321) is (3-methoxy-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 (3-methoxy-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 (3-methoxy-4-pyridinyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone is COc1cnccc1C(=O)N1CCn2nc(-c3ccccc3)nc2[C@@H]1C.

What is the InChIKey of (3-methoxy-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 XXIZKIYRFOIMLE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13-18-21-17(14-6-4-3-5-7-14)22-24(18)11-10-23(13)19(25)15-8-9-20-12-16(15)26-2/h3-9,12-13H,10-11H2,1-2H3/t13-/m0/s1.

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

(3-methoxy-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 349.39 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methoxy-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 164698321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).