N-[(2,5-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide

C18H13F2N5O2 — CID 53170885

About N-[(2,5-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide

N-[(2,5-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide (PubChem CID 53170885) has the molecular formula C18H13F2N5O2 and a molecular weight of 369.33 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2,5-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
• PubChem CID: 53170885
• Molecular Formula: C18H13F2N5O2
• Molecular Weight: 369.33 g/mol
• Exact Mass: 369.10
• IUPAC Name: N-[(2,5-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
• SMILES: Cc1ccc2c(c1)[nH]c(=O)c1c(C(=O)NCc3cc(F)ccc3F)nnn12
• InChI: InChI=1S/C18H13F2N5O2/c1-9-2-5-14-13(6-9)22-18(27)16-15(23-24-25(14)16)17(26)21-8-10-7-11(19)3-4-12(10)20/h2-7H,8H2,1H3,(H,21,26)(H,22,27)
• InChIKey: LBYYGAJNLPKAIV-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 92.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.33
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?

The IUPAC name of N-[(2,5-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide (CID 53170885) is N-[(2,5-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide.

What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?

The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide is Cc1ccc2c(c1)[nH]c(=O)c1c(C(=O)NCc3cc(F)ccc3F)nnn12.

What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?

The InChIKey is LBYYGAJNLPKAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O2/c1-9-2-5-14-13(6-9)22-18(27)16-15(23-24-25(14)16)17(26)21-8-10-7-11(19)3-4-12(10)20/h2-7H,8H2,1H3,(H,21,26)(H,22,27).

What are the key properties of N-[(2,5-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?

N-[(2,5-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide has a molecular weight of 369.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,5-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide is sourced from PubChem (CID 53170885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).