N-[(7S)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide

C20H19N5O — CID 136915736

About N-[(7S)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide

N-[(7S)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide (PubChem CID 136915736) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[(7S)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(7S)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
• PubChem CID: 136915736
• Molecular Formula: C20H19N5O
• Molecular Weight: 345.41 g/mol
• Exact Mass: 345.16
• IUPAC Name: N-[(7S)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
• SMILES: CC(=O)Nc1nc2n(n1)[C@H](c1ccc(C)cc1)C=C(c1ccccc1)N2
• InChI: InChI=1S/C20H19N5O/c1-13-8-10-16(11-9-13)18-12-17(15-6-4-3-5-7-15)22-20-23-19(21-14(2)26)24-25(18)20/h3-12,18H,1-2H3,(H2,21,22,23,24,26)/t18-/m0/s1
• InChIKey: RSVLBPLSFKGMDX-SFHVURJKSA-N
• XLogP: 3.60
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.41
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(7S)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide (CID 136915736) is N-[(7S)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide.

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

The canonical SMILES for N-[(7S)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide is CC(=O)Nc1nc2n(n1)[C@H](c1ccc(C)cc1)C=C(c1ccccc1)N2.

What is the InChIKey of N-[(7S)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?

The InChIKey is RSVLBPLSFKGMDX-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13-8-10-16(11-9-13)18-12-17(15-6-4-3-5-7-15)22-20-23-19(21-14(2)26)24-25(18)20/h3-12,18H,1-2H3,(H2,21,22,23,24,26)/t18-/m0/s1.

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

N-[(7S)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide has a molecular weight of 345.41 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7S)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 136915736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).