(7S)-7-(2-chlorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

C23H17ClN4 — CID 135617920

About (7S)-7-(2-chlorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

(7S)-7-(2-chlorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 135617920) has the molecular formula C23H17ClN4 and a molecular weight of 384.87 g/mol. Its IUPAC name is (7S)-7-(2-chlorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: (7S)-7-(2-chlorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
• PubChem CID: 135617920
• Molecular Formula: C23H17ClN4
• Molecular Weight: 384.87 g/mol
• Exact Mass: 384.11
• IUPAC Name: (7S)-7-(2-chlorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
• SMILES: Clc1ccccc1[C@@H]1C=C(c2ccc(-c3ccccc3)cc2)Nc2ncnn21
• InChI: InChI=1S/C23H17ClN4/c24-20-9-5-4-8-19(20)22-14-21(27-23-25-15-26-28(22)23)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-15,22H,(H,25,26,27)/t22-/m0/s1
• InChIKey: CJMRNKDSUSOLTE-QFIPXVFZSA-N
• XLogP: 5.65
• TPSA: 42.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.87
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (7S)-7-(2-chlorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 135617920) is (7S)-7-(2-chlorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

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

The canonical SMILES for (7S)-7-(2-chlorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is Clc1ccccc1[C@@H]1C=C(c2ccc(-c3ccccc3)cc2)Nc2ncnn21.

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

The InChIKey is CJMRNKDSUSOLTE-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H17ClN4/c24-20-9-5-4-8-19(20)22-14-21(27-23-25-15-26-28(22)23)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-15,22H,(H,25,26,27)/t22-/m0/s1.

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

(7S)-7-(2-chlorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 384.87 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-7-(2-chlorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135617920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).