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

C23H31N7O — CID 55694701

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

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide (PubChem CID 55694701) has the molecular formula C23H31N7O and a molecular weight of 421.55 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

• Compound Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
• PubChem CID: 55694701
• Molecular Formula: C23H31N7O
• Molecular Weight: 421.55 g/mol
• Exact Mass: 421.26
• IUPAC Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
• SMILES: Cc1nc2ncnn2c(C)c1CCC(=O)NCC(C)N1CCN(c2ccccc2)CC1
• InChI: InChI=1S/C23H31N7O/c1-17(28-11-13-29(14-12-28)20-7-5-4-6-8-20)15-24-22(31)10-9-21-18(2)27-23-25-16-26-30(23)19(21)3/h4-8,16-17H,9-15H2,1-3H3,(H,24,31)
• InChIKey: AQXGUAJQGIZOOP-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 78.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.55
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
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-[2-(4-phenylpiperazin-1-yl)propyl]propanamide?

The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide (CID 55694701) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide.

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

The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)NCC(C)N1CCN(c2ccccc2)CC1.

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

The InChIKey is AQXGUAJQGIZOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O/c1-17(28-11-13-29(14-12-28)20-7-5-4-6-8-20)15-24-22(31)10-9-21-18(2)27-23-25-16-26-30(23)19(21)3/h4-8,16-17H,9-15H2,1-3H3,(H,24,31).

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

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide has a molecular weight of 421.55 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 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-[2-(4-phenylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 55694701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).