3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide

C22H28N6O2 — CID 17395261

About 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide (PubChem CID 17395261) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
• PubChem CID: 17395261
• Molecular Formula: C22H28N6O2
• Molecular Weight: 408.51 g/mol
• Exact Mass: 408.23
• IUPAC Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
• SMILES: Cc1nc2ncnn2c(C)c1CCC(=O)N(C)Cc1ccccc1N1CCOCC1
• InChI: InChI=1S/C22H28N6O2/c1-16-19(17(2)28-22(25-16)23-15-24-28)8-9-21(29)26(3)14-18-6-4-5-7-20(18)27-10-12-30-13-11-27/h4-7,15H,8-14H2,1-3H3
• InChIKey: IVGVSUSHUHCKHW-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 75.86 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.51
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?

The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide (CID 17395261) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide.

What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?

The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)N(C)Cc1ccccc1N1CCOCC1.

What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?

The InChIKey is IVGVSUSHUHCKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-16-19(17(2)28-22(25-16)23-15-24-28)8-9-21(29)26(3)14-18-6-4-5-7-20(18)27-10-12-30-13-11-27/h4-7,15H,8-14H2,1-3H3.

What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide has a molecular weight of 408.51 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide is sourced from PubChem (CID 17395261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).