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

C21H26N6O2 — CID 55900334

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

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide (PubChem CID 55900334) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide
• PubChem CID: 55900334
• Molecular Formula: C21H26N6O2
• Molecular Weight: 394.48 g/mol
• Exact Mass: 394.21
• IUPAC Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide
• SMILES: Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccccc1CN1CCOCC1
• InChI: InChI=1S/C21H26N6O2/c1-15-18(16(2)27-21(24-15)22-14-23-27)7-8-20(28)25-19-6-4-3-5-17(19)13-26-9-11-29-12-10-26/h3-6,14H,7-13H2,1-2H3,(H,25,28)
• InChIKey: BIAYMRYJHLCSHR-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 84.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.48
LogP ≤ 5	2.14
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-(morpholin-4-ylmethyl)phenyl]propanamide?

The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide (CID 55900334) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide.

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

The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccccc1CN1CCOCC1.

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

The InChIKey is BIAYMRYJHLCSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-15-18(16(2)27-21(24-15)22-14-23-27)7-8-20(28)25-19-6-4-3-5-17(19)13-26-9-11-29-12-10-26/h3-6,14H,7-13H2,1-2H3,(H,25,28).

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

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide has a molecular weight of 394.48 g/mol, XLogP of 2.14, 6 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-(morpholin-4-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 55900334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).