5-benzyl-2-(2-chlorophenyl)-1H-[1,2,4]triazino[4,3-a]quinoxaline

C23H17ClN4 — CID 122191109

IUPAC5-benzyl-2-(2-chlorophenyl)-1H-[1,2,4]triazino[4,3-a]quinoxaline
SMILESClc1ccccc1C1=NN=C2C(Cc3ccccc3)=Nc3ccccc3N2C1
InChIInChI=1S/C23H17ClN4/c24-18-11-5-4-10-17(18)21-15-28-22-13-7-6-12-19(22)25-20(23(28)27-26-21)14-16-8-2-1-3-9-16/h1-13H,14-15H2
InChIKeyNZUCHXYBKPXJTA-UHFFFAOYSA-N
MW384.87 g/mol
LogP5.29
Rot. Bonds3

About 5-benzyl-2-(2-chlorophenyl)-1H-[1,2,4]triazino[4,3-a]quinoxaline

5-benzyl-2-(2-chlorophenyl)-1H-[1,2,4]triazino[4,3-a]quinoxaline (PubChem CID 122191109) has the molecular formula C23H17ClN4 and a molecular weight of 384.87 g/mol. Its IUPAC name is 5-benzyl-2-(2-chlorophenyl)-1H-[1,2,4]triazino[4,3-a]quinoxaline.

Molecular Properties

Compound Name5-benzyl-2-(2-chlorophenyl)-1H-[1,2,4]triazino[4,3-a]quinoxaline
PubChem CID122191109
Molecular FormulaC23H17ClN4
Molecular Weight384.87 g/mol
Exact Mass384.11
IUPAC Name5-benzyl-2-(2-chlorophenyl)-1H-[1,2,4]triazino[4,3-a]quinoxaline
SMILESClc1ccccc1C1=NN=C2C(Cc3ccccc3)=Nc3ccccc3N2C1
InChIInChI=1S/C23H17ClN4/c24-18-11-5-4-10-17(18)21-15-28-22-13-7-6-12-19(22)25-20(23(28)27-26-21)14-16-8-2-1-3-9-16/h1-13H,14-15H2
InChIKeyNZUCHXYBKPXJTA-UHFFFAOYSA-N
XLogP5.29
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.87
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(2-chlorophenyl)-1H-[1,2,4]triazino[4,3-a]quinoxaline?
The IUPAC name of 5-benzyl-2-(2-chlorophenyl)-1H-[1,2,4]triazino[4,3-a]quinoxaline (CID 122191109) is 5-benzyl-2-(2-chlorophenyl)-1H-[1,2,4]triazino[4,3-a]quinoxaline.
What is the SMILES notation for 5-benzyl-2-(2-chlorophenyl)-1H-[1,2,4]triazino[4,3-a]quinoxaline?
The canonical SMILES for 5-benzyl-2-(2-chlorophenyl)-1H-[1,2,4]triazino[4,3-a]quinoxaline is Clc1ccccc1C1=NN=C2C(Cc3ccccc3)=Nc3ccccc3N2C1.
What is the InChIKey of 5-benzyl-2-(2-chlorophenyl)-1H-[1,2,4]triazino[4,3-a]quinoxaline?
The InChIKey is NZUCHXYBKPXJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4/c24-18-11-5-4-10-17(18)21-15-28-22-13-7-6-12-19(22)25-20(23(28)27-26-21)14-16-8-2-1-3-9-16/h1-13H,14-15H2.
What are the key properties of 5-benzyl-2-(2-chlorophenyl)-1H-[1,2,4]triazino[4,3-a]quinoxaline?
5-benzyl-2-(2-chlorophenyl)-1H-[1,2,4]triazino[4,3-a]quinoxaline has a molecular weight of 384.87 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(2-chlorophenyl)-1H-[1,2,4]triazino[4,3-a]quinoxaline is sourced from PubChem (CID 122191109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).