1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione

C16H15N5O2 — CID 3149398

About 1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione

1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione (PubChem CID 3149398) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione
• PubChem CID: 3149398
• Molecular Formula: C16H15N5O2
• Molecular Weight: 309.33 g/mol
• Exact Mass: 309.12
• IUPAC Name: 1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione
• SMILES: CC1=CC(c2ccccc2)n2nc(N3C(=O)CCC3=O)nc2N1
• InChI: InChI=1S/C16H15N5O2/c1-10-9-12(11-5-3-2-4-6-11)21-15(17-10)18-16(19-21)20-13(22)7-8-14(20)23/h2-6,9,12H,7-8H2,1H3,(H,17,18,19)
• InChIKey: UVLXJDVLHQQXIZ-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.33
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione?

The IUPAC name of 1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione (CID 3149398) is 1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione.

What is the SMILES notation for 1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione?

The canonical SMILES for 1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione is CC1=CC(c2ccccc2)n2nc(N3C(=O)CCC3=O)nc2N1.

What is the InChIKey of 1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione?

The InChIKey is UVLXJDVLHQQXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-10-9-12(11-5-3-2-4-6-11)21-15(17-10)18-16(19-21)20-13(22)7-8-14(20)23/h2-6,9,12H,7-8H2,1H3,(H,17,18,19).

What are the key properties of 1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione?

1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione has a molecular weight of 309.33 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3149398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).