5-phenyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C26H24N6 — CID 93064915

About 5-phenyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-phenyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 93064915) has the molecular formula C26H24N6 and a molecular weight of 420.52 g/mol. Its IUPAC name is 5-phenyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 5-phenyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 93064915
• Molecular Formula: C26H24N6
• Molecular Weight: 420.52 g/mol
• Exact Mass: 420.21
• IUPAC Name: 5-phenyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• SMILES: C[C@@H](CCc1ccccc1)Nc1cc(-c2ccccc2)nc2nc(-c3cccnc3)nn12
• InChI: InChI=1S/C26H24N6/c1-19(14-15-20-9-4-2-5-10-20)28-24-17-23(21-11-6-3-7-12-21)29-26-30-25(31-32(24)26)22-13-8-16-27-18-22/h2-13,16-19,28H,14-15H2,1H3/t19-/m0/s1
• InChIKey: FKQRZXLBBOPQPP-IBGZPJMESA-N
• XLogP: 5.29
• TPSA: 68.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.52
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 5-phenyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 93064915) is 5-phenyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 5-phenyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 5-phenyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is C[C@@H](CCc1ccccc1)Nc1cc(-c2ccccc2)nc2nc(-c3cccnc3)nn12.

What is the InChIKey of 5-phenyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is FKQRZXLBBOPQPP-IBGZPJMESA-N. The full InChI is InChI=1S/C26H24N6/c1-19(14-15-20-9-4-2-5-10-20)28-24-17-23(21-11-6-3-7-12-21)29-26-30-25(31-32(24)26)22-13-8-16-27-18-22/h2-13,16-19,28H,14-15H2,1H3/t19-/m0/s1.

What are the key properties of 5-phenyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

5-phenyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 420.52 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-phenyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 93064915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).