3-[3-(dimethylamino)pyrazin-2-yl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide

C18H21N7O — CID 122557982

About 3-[3-(dimethylamino)pyrazin-2-yl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide

3-[3-(dimethylamino)pyrazin-2-yl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (PubChem CID 122557982) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[3-(dimethylamino)pyrazin-2-yl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 3-[3-(dimethylamino)pyrazin-2-yl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
• PubChem CID: 122557982
• Molecular Formula: C18H21N7O
• Molecular Weight: 351.41 g/mol
• Exact Mass: 351.18
• IUPAC Name: 3-[3-(dimethylamino)pyrazin-2-yl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
• SMILES: CC(NC(=O)c1cccc(-c2nccnc2N(C)C)c1)c1ncnn1C
• InChI: InChI=1S/C18H21N7O/c1-12(16-21-11-22-25(16)4)23-18(26)14-7-5-6-13(10-14)15-17(24(2)3)20-9-8-19-15/h5-12H,1-4H3,(H,23,26)
• InChIKey: MGHMMAKYIGETSD-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.41
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)pyrazin-2-yl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?

The IUPAC name of 3-[3-(dimethylamino)pyrazin-2-yl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (CID 122557982) is 3-[3-(dimethylamino)pyrazin-2-yl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.

What is the SMILES notation for 3-[3-(dimethylamino)pyrazin-2-yl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?

The canonical SMILES for 3-[3-(dimethylamino)pyrazin-2-yl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is CC(NC(=O)c1cccc(-c2nccnc2N(C)C)c1)c1ncnn1C.

What is the InChIKey of 3-[3-(dimethylamino)pyrazin-2-yl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?

The InChIKey is MGHMMAKYIGETSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-12(16-21-11-22-25(16)4)23-18(26)14-7-5-6-13(10-14)15-17(24(2)3)20-9-8-19-15/h5-12H,1-4H3,(H,23,26).

What are the key properties of 3-[3-(dimethylamino)pyrazin-2-yl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?

3-[3-(dimethylamino)pyrazin-2-yl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(dimethylamino)pyrazin-2-yl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 122557982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).