(7R)-7-(3,4-difluorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

C23H16F2N4 — CID 135681085

About (7R)-7-(3,4-difluorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

(7R)-7-(3,4-difluorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 135681085) has the molecular formula C23H16F2N4 and a molecular weight of 386.41 g/mol. Its IUPAC name is (7R)-7-(3,4-difluorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: (7R)-7-(3,4-difluorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
• PubChem CID: 135681085
• Molecular Formula: C23H16F2N4
• Molecular Weight: 386.41 g/mol
• Exact Mass: 386.13
• IUPAC Name: (7R)-7-(3,4-difluorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
• SMILES: Fc1ccc([C@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3ncnn32)cc1F
• InChI: InChI=1S/C23H16F2N4/c24-19-11-10-18(12-20(19)25)22-13-21(28-23-26-14-27-29(22)23)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14,22H,(H,26,27,28)/t22-/m1/s1
• InChIKey: FQPVMSZNFMHZEC-JOCHJYFZSA-N
• XLogP: 5.28
• TPSA: 42.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.41
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(3,4-difluorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?

The IUPAC name of (7R)-7-(3,4-difluorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 135681085) is (7R)-7-(3,4-difluorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

What is the SMILES notation for (7R)-7-(3,4-difluorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?

The canonical SMILES for (7R)-7-(3,4-difluorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is Fc1ccc([C@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3ncnn32)cc1F.

What is the InChIKey of (7R)-7-(3,4-difluorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?

The InChIKey is FQPVMSZNFMHZEC-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H16F2N4/c24-19-11-10-18(12-20(19)25)22-13-21(28-23-26-14-27-29(22)23)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14,22H,(H,26,27,28)/t22-/m1/s1.

What are the key properties of (7R)-7-(3,4-difluorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?

(7R)-7-(3,4-difluorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 386.41 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-7-(3,4-difluorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135681085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).