1-(2,6-difluorophenyl)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one

C16H14F2N6O — CID 133350564

About 1-(2,6-difluorophenyl)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one

1-(2,6-difluorophenyl)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one (PubChem CID 133350564) has the molecular formula C16H14F2N6O and a molecular weight of 344.33 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-(2,6-difluorophenyl)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one
• PubChem CID: 133350564
• Molecular Formula: C16H14F2N6O
• Molecular Weight: 344.33 g/mol
• Exact Mass: 344.12
• IUPAC Name: 1-(2,6-difluorophenyl)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one
• SMILES: Cc1cc(NC2CCN(c3c(F)cccc3F)C2=O)n2ncnc2n1
• InChI: InChI=1S/C16H14F2N6O/c1-9-7-13(24-16(21-9)19-8-20-24)22-12-5-6-23(15(12)25)14-10(17)3-2-4-11(14)18/h2-4,7-8,12,22H,5-6H2,1H3
• InChIKey: QXIMNXLMTKFDRB-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.33
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one?

The IUPAC name of 1-(2,6-difluorophenyl)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one (CID 133350564) is 1-(2,6-difluorophenyl)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one.

What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one?

The canonical SMILES for 1-(2,6-difluorophenyl)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one is Cc1cc(NC2CCN(c3c(F)cccc3F)C2=O)n2ncnc2n1.

What is the InChIKey of 1-(2,6-difluorophenyl)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one?

The InChIKey is QXIMNXLMTKFDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N6O/c1-9-7-13(24-16(21-9)19-8-20-24)22-12-5-6-23(15(12)25)14-10(17)3-2-4-11(14)18/h2-4,7-8,12,22H,5-6H2,1H3.

What are the key properties of 1-(2,6-difluorophenyl)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one?

1-(2,6-difluorophenyl)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one has a molecular weight of 344.33 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-difluorophenyl)-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 133350564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).