(2,6-dimethoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C19H25N5O3 — CID 92640624

About (2,6-dimethoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(2,6-dimethoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 92640624) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: (2,6-dimethoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
• PubChem CID: 92640624
• Molecular Formula: C19H25N5O3
• Molecular Weight: 371.44 g/mol
• Exact Mass: 371.20
• IUPAC Name: (2,6-dimethoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
• SMILES: COc1cccc(OC)c1C(=O)N1CCn2c(nnc2[C@@H]2CCCN2C)C1
• InChI: InChI=1S/C19H25N5O3/c1-22-9-5-6-13(22)18-21-20-16-12-23(10-11-24(16)18)19(25)17-14(26-2)7-4-8-15(17)27-3/h4,7-8,13H,5-6,9-12H2,1-3H3/t13-/m0/s1
• InChIKey: GULVRQHKOJXKSW-ZDUSSCGKSA-N
• XLogP: 1.72
• TPSA: 72.72 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.44
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2,6-dimethoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 92640624) is (2,6-dimethoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

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

The canonical SMILES for (2,6-dimethoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is COc1cccc(OC)c1C(=O)N1CCn2c(nnc2[C@@H]2CCCN2C)C1.

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

The InChIKey is GULVRQHKOJXKSW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-22-9-5-6-13(22)18-21-20-16-12-23(10-11-24(16)18)19(25)17-14(26-2)7-4-8-15(17)27-3/h4,7-8,13H,5-6,9-12H2,1-3H3/t13-/m0/s1.

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

(2,6-dimethoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 371.44 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2,6-dimethoxyphenyl)-[3-[(2S)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 92640624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).