N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide

C15H13ClFN5O2 — CID 150995037

About N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide

N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide (PubChem CID 150995037) has the molecular formula C15H13ClFN5O2 and a molecular weight of 349.75 g/mol. Its IUPAC name is N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
• PubChem CID: 150995037
• Molecular Formula: C15H13ClFN5O2
• Molecular Weight: 349.75 g/mol
• Exact Mass: 349.07
• IUPAC Name: N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
• SMILES: C[C@H](NC(=O)Cn1nc2cnccn2c1=O)c1ccc(Cl)c(F)c1
• InChI: InChI=1S/C15H13ClFN5O2/c1-9(10-2-3-11(16)12(17)6-10)19-14(23)8-22-15(24)21-5-4-18-7-13(21)20-22/h2-7,9H,8H2,1H3,(H,19,23)/t9-/m0/s1
• InChIKey: LSXLAAWASGCBCK-VIFPVBQESA-N
• XLogP: 1.56
• TPSA: 81.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.75
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide?

The IUPAC name of N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide (CID 150995037) is N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide.

What is the SMILES notation for N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide?

The canonical SMILES for N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide is C[C@H](NC(=O)Cn1nc2cnccn2c1=O)c1ccc(Cl)c(F)c1.

What is the InChIKey of N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide?

The InChIKey is LSXLAAWASGCBCK-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13ClFN5O2/c1-9(10-2-3-11(16)12(17)6-10)19-14(23)8-22-15(24)21-5-4-18-7-13(21)20-22/h2-7,9H,8H2,1H3,(H,19,23)/t9-/m0/s1.

What are the key properties of N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide?

N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide has a molecular weight of 349.75 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide is sourced from PubChem (CID 150995037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).