1-[4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione

C19H25N7O4 — CID 55759680

About 1-[4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione

1-[4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione (PubChem CID 55759680) has the molecular formula C19H25N7O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 1-[4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

• Compound Name: 1-[4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
• PubChem CID: 55759680
• Molecular Formula: C19H25N7O4
• Molecular Weight: 415.45 g/mol
• Exact Mass: 415.20
• IUPAC Name: 1-[4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
• SMILES: Cc1cc(C)n2nc(CC(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)nc2n1
• InChI: InChI=1S/C19H25N7O4/c1-13-11-14(2)26-19(20-13)21-15(22-26)12-16(27)23-3-5-24(6-4-23)17(28)18(29)25-7-9-30-10-8-25/h11H,3-10,12H2,1-2H3
• InChIKey: DRKAMJHCXZHOAM-UHFFFAOYSA-N
• XLogP: -1.19
• TPSA: 113.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.45
LogP ≤ 5	-1.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?

The IUPAC name of 1-[4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione (CID 55759680) is 1-[4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione.

What is the SMILES notation for 1-[4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?

The canonical SMILES for 1-[4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione is Cc1cc(C)n2nc(CC(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)nc2n1.

What is the InChIKey of 1-[4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?

The InChIKey is DRKAMJHCXZHOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O4/c1-13-11-14(2)26-19(20-13)21-15(22-26)12-16(27)23-3-5-24(6-4-23)17(28)18(29)25-7-9-30-10-8-25/h11H,3-10,12H2,1-2H3.

What are the key properties of 1-[4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?

1-[4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 415.45 g/mol, XLogP of -1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 55759680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).