4-benzyl-[1,2,4]triazolo[4,3-a]quinoxaline

C16H12N4 — CID 46945880

IUPAC4-benzyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESc1ccc(Cc2nc3ccccc3n3cnnc23)cc1
InChIInChI=1S/C16H12N4/c1-2-6-12(7-3-1)10-14-16-19-17-11-20(16)15-9-5-4-8-13(15)18-14/h1-9,11H,10H2
InChIKeyQEOMUNIOZPWFSQ-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.87
Rot. Bonds2

About 4-benzyl-[1,2,4]triazolo[4,3-a]quinoxaline

4-benzyl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 46945880) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-benzyl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4-benzyl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID46945880
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name4-benzyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESc1ccc(Cc2nc3ccccc3n3cnnc23)cc1
InChIInChI=1S/C16H12N4/c1-2-6-12(7-3-1)10-14-16-19-17-11-20(16)15-9-5-4-8-13(15)18-14/h1-9,11H,10H2
InChIKeyQEOMUNIOZPWFSQ-UHFFFAOYSA-N
XLogP2.87
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-
CID 97338
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
US10399985, Example 8
CID 118278241
Eapb-0203
CID 24779760
2-Phenylimidazo[2,1-a]phthalazin-6-amine
CID 3765310
8-Chloro-1-phenyl-(1,2,4)triazolo(4,3-a)quinoxalin-4-amine
CID 124473
1,3-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327820
3,7-Diphenylimidazo[1,2-a]pyridine
CID 5329339
N,3-dimethyl-11-phenyl-1,3,5,8,12-pentaazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-7-amine
CID 25263282
5,8-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 44537944
1-(2-Chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 56933838
US10399985, Example 20
CID 118278203

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4-benzyl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 46945880) is 4-benzyl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4-benzyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4-benzyl-[1,2,4]triazolo[4,3-a]quinoxaline is c1ccc(Cc2nc3ccccc3n3cnnc23)cc1.
What is the InChIKey of 4-benzyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is QEOMUNIOZPWFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-2-6-12(7-3-1)10-14-16-19-17-11-20(16)15-9-5-4-8-13(15)18-14/h1-9,11H,10H2.
What are the key properties of 4-benzyl-[1,2,4]triazolo[4,3-a]quinoxaline?
4-benzyl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 260.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 46945880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).