N-(2-chlorophenyl)-2-[2-[(7R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenoxy]acetamide

C19H16ClN5O3 — CID 137129435

About N-(2-chlorophenyl)-2-[2-[(7R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenoxy]acetamide

N-(2-chlorophenyl)-2-[2-[(7R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenoxy]acetamide (PubChem CID 137129435) has the molecular formula C19H16ClN5O3 and a molecular weight of 397.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[2-[(7R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-(2-chlorophenyl)-2-[2-[(7R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenoxy]acetamide
• PubChem CID: 137129435
• Molecular Formula: C19H16ClN5O3
• Molecular Weight: 397.82 g/mol
• Exact Mass: 397.09
• IUPAC Name: N-(2-chlorophenyl)-2-[2-[(7R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenoxy]acetamide
• SMILES: O=C(COc1ccccc1[C@H]1CC(=O)Nc2ncnn21)Nc1ccccc1Cl
• InChI: InChI=1S/C19H16ClN5O3/c20-13-6-2-3-7-14(13)23-18(27)10-28-16-8-4-1-5-12(16)15-9-17(26)24-19-21-11-22-25(15)19/h1-8,11,15H,9-10H2,(H,23,27)(H,21,22,24,26)/t15-/m1/s1
• InChIKey: SJPDTHGDZMWZEG-OAHLLOKOSA-N
• XLogP: 2.88
• TPSA: 98.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.82
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[2-[(7R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenoxy]acetamide?

The IUPAC name of N-(2-chlorophenyl)-2-[2-[(7R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenoxy]acetamide (CID 137129435) is N-(2-chlorophenyl)-2-[2-[(7R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenoxy]acetamide.

What is the SMILES notation for N-(2-chlorophenyl)-2-[2-[(7R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenoxy]acetamide?

The canonical SMILES for N-(2-chlorophenyl)-2-[2-[(7R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenoxy]acetamide is O=C(COc1ccccc1[C@H]1CC(=O)Nc2ncnn21)Nc1ccccc1Cl.

What is the InChIKey of N-(2-chlorophenyl)-2-[2-[(7R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenoxy]acetamide?

The InChIKey is SJPDTHGDZMWZEG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H16ClN5O3/c20-13-6-2-3-7-14(13)23-18(27)10-28-16-8-4-1-5-12(16)15-9-17(26)24-19-21-11-22-25(15)19/h1-8,11,15H,9-10H2,(H,23,27)(H,21,22,24,26)/t15-/m1/s1.

What are the key properties of N-(2-chlorophenyl)-2-[2-[(7R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenoxy]acetamide?

N-(2-chlorophenyl)-2-[2-[(7R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenoxy]acetamide has a molecular weight of 397.82 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chlorophenyl)-2-[2-[(7R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenoxy]acetamide is sourced from PubChem (CID 137129435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).