N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide

C25H21N5O — CID 135970368

About N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide

N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide (PubChem CID 135970368) has the molecular formula C25H21N5O and a molecular weight of 407.48 g/mol. Its IUPAC name is N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide.

Molecular Properties

• Compound Name: N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide
• PubChem CID: 135970368
• Molecular Formula: C25H21N5O
• Molecular Weight: 407.48 g/mol
• Exact Mass: 407.17
• IUPAC Name: N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide
• SMILES: O=C(Cc1ccccc1)Nc1nc2n(n1)C(c1ccccc1)C=C(c1ccccc1)N2
• InChI: InChI=1S/C25H21N5O/c31-23(16-18-10-4-1-5-11-18)27-24-28-25-26-21(19-12-6-2-7-13-19)17-22(30(25)29-24)20-14-8-3-9-15-20/h1-15,17,22H,16H2,(H2,26,27,28,29,31)
• InChIKey: OCHSVIMAKZFXCN-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.48
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide?

The IUPAC name of N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide (CID 135970368) is N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide.

What is the SMILES notation for N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide?

The canonical SMILES for N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide is O=C(Cc1ccccc1)Nc1nc2n(n1)C(c1ccccc1)C=C(c1ccccc1)N2.

What is the InChIKey of N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide?

The InChIKey is OCHSVIMAKZFXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O/c31-23(16-18-10-4-1-5-11-18)27-24-28-25-26-21(19-12-6-2-7-13-19)17-22(30(25)29-24)20-14-8-3-9-15-20/h1-15,17,22H,16H2,(H2,26,27,28,29,31).

What are the key properties of N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide?

N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide has a molecular weight of 407.48 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide is sourced from PubChem (CID 135970368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).