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

C25H21N5O2 — CID 136721626

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

N-[(7R)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-phenoxyacetamide (PubChem CID 136721626) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is N-[(7R)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-phenoxyacetamide.

Molecular Properties

• Compound Name: N-[(7R)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-phenoxyacetamide
• PubChem CID: 136721626
• Molecular Formula: C25H21N5O2
• Molecular Weight: 423.48 g/mol
• Exact Mass: 423.17
• IUPAC Name: N-[(7R)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-phenoxyacetamide
• SMILES: O=C(COc1ccccc1)Nc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccccc1)N2
• InChI: InChI=1S/C25H21N5O2/c31-23(17-32-20-14-8-3-9-15-20)27-24-28-25-26-21(18-10-4-1-5-11-18)16-22(30(25)29-24)19-12-6-2-7-13-19/h1-16,22H,17H2,(H2,26,27,28,29,31)/t22-/m1/s1
• InChIKey: MYRUGFSEZCZIAL-JOCHJYFZSA-N
• XLogP: 4.35
• TPSA: 81.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.48
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(7R)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-phenoxyacetamide (CID 136721626) is N-[(7R)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-phenoxyacetamide.

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

The canonical SMILES for N-[(7R)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccccc1)N2.

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

The InChIKey is MYRUGFSEZCZIAL-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H21N5O2/c31-23(17-32-20-14-8-3-9-15-20)27-24-28-25-26-21(18-10-4-1-5-11-18)16-22(30(25)29-24)19-12-6-2-7-13-19/h1-16,22H,17H2,(H2,26,27,28,29,31)/t22-/m1/s1.

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

N-[(7R)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-phenoxyacetamide has a molecular weight of 423.48 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7R)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 136721626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).