4-oxo-N-pentan-3-yl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide

C15H17N5O2 — CID 53170903

IUPAC4-oxo-N-pentan-3-yl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
SMILESCCC(CC)NC(=O)c1nnn2c1c(=O)[nH]c1ccccc12
InChIInChI=1S/C15H17N5O2/c1-3-9(4-2)16-14(21)12-13-15(22)17-10-7-5-6-8-11(10)20(13)19-18-12/h5-9H,3-4H2,1-2H3,(H,16,21)(H,17,22)
InChIKeyICANEEAKJGXLTK-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.49
Rot. Bonds4

About 4-oxo-N-pentan-3-yl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide

4-oxo-N-pentan-3-yl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide (PubChem CID 53170903) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-oxo-N-pentan-3-yl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-pentan-3-yl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
PubChem CID53170903
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name4-oxo-N-pentan-3-yl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
SMILESCCC(CC)NC(=O)c1nnn2c1c(=O)[nH]c1ccccc12
InChIInChI=1S/C15H17N5O2/c1-3-9(4-2)16-14(21)12-13-15(22)17-10-7-5-6-8-11(10)20(13)19-18-12/h5-9H,3-4H2,1-2H3,(H,16,21)(H,17,22)
InChIKeyICANEEAKJGXLTK-UHFFFAOYSA-N
XLogP1.49
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-pentan-3-yl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The IUPAC name of 4-oxo-N-pentan-3-yl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide (CID 53170903) is 4-oxo-N-pentan-3-yl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide.
What is the SMILES notation for 4-oxo-N-pentan-3-yl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The canonical SMILES for 4-oxo-N-pentan-3-yl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide is CCC(CC)NC(=O)c1nnn2c1c(=O)[nH]c1ccccc12.
What is the InChIKey of 4-oxo-N-pentan-3-yl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The InChIKey is ICANEEAKJGXLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-3-9(4-2)16-14(21)12-13-15(22)17-10-7-5-6-8-11(10)20(13)19-18-12/h5-9H,3-4H2,1-2H3,(H,16,21)(H,17,22).
What are the key properties of 4-oxo-N-pentan-3-yl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
4-oxo-N-pentan-3-yl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-pentan-3-yl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide is sourced from PubChem (CID 53170903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).