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

C15H10N4 — CID 71331646

IUPAC1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESc1ccc(-c2nnc3cnc4ccccc4n23)cc1
InChIInChI=1S/C15H10N4/c1-2-6-11(7-3-1)15-18-17-14-10-16-12-8-4-5-9-13(12)19(14)15/h1-10H
InChIKeyMDDXQWSQFHLJNC-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.94
Rot. Bonds1

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

1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 71331646) has the molecular formula C15H10N4 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID71331646
Molecular FormulaC15H10N4
Molecular Weight246.27 g/mol
Exact Mass246.09
IUPAC Name1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESc1ccc(-c2nnc3cnc4ccccc4n23)cc1
InChIInChI=1S/C15H10N4/c1-2-6-11(7-3-1)15-18-17-14-10-16-12-8-4-5-9-13(12)19(14)15/h1-10H
InChIKeyMDDXQWSQFHLJNC-UHFFFAOYSA-N
XLogP2.94
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 71331646) is 1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline is c1ccc(-c2nnc3cnc4ccccc4n23)cc1.
What is the InChIKey of 1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is MDDXQWSQFHLJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4/c1-2-6-11(7-3-1)15-18-17-14-10-16-12-8-4-5-9-13(12)19(14)15/h1-10H.
What are the key properties of 1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline?
1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 246.27 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 71331646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).