N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide

C16H15ClFN5O2 — CID 146781770

About N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide

N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide (PubChem CID 146781770) has the molecular formula C16H15ClFN5O2 and a molecular weight of 363.78 g/mol. Its IUPAC name is N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(8-methyl-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-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
• PubChem CID: 146781770
• Molecular Formula: C16H15ClFN5O2
• Molecular Weight: 363.78 g/mol
• Exact Mass: 363.09
• IUPAC Name: N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
• SMILES: Cc1nccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)nc12
• InChI: InChI=1S/C16H15ClFN5O2/c1-9(11-3-4-12(17)13(18)7-11)20-14(24)8-23-16(25)22-6-5-19-10(2)15(22)21-23/h3-7,9H,8H2,1-2H3,(H,20,24)/t9-/m0/s1
• InChIKey: RTUVNUOTTGAETK-VIFPVBQESA-N
• XLogP: 1.87
• TPSA: 81.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.78
LogP ≤ 5	1.87
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-(8-methyl-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-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide (CID 146781770) is N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(8-methyl-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-(8-methyl-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-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide is Cc1nccn2c(=O)n(CC(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)nc12.

What is the InChIKey of N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide?

The InChIKey is RTUVNUOTTGAETK-VIFPVBQESA-N. The full InChI is InChI=1S/C16H15ClFN5O2/c1-9(11-3-4-12(17)13(18)7-11)20-14(24)8-23-16(25)22-6-5-19-10(2)15(22)21-23/h3-7,9H,8H2,1-2H3,(H,20,24)/t9-/m0/s1.

What are the key properties of N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide?

N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide has a molecular weight of 363.78 g/mol, XLogP of 1.87, 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-(8-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide is sourced from PubChem (CID 146781770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).