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

C16H12N4 — CID 621327

IUPAC4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nc2ccccc2n2c(-c3ccccc3)nnc12
InChIInChI=1S/C16H12N4/c1-11-15-18-19-16(12-7-3-2-4-8-12)20(15)14-10-6-5-9-13(14)17-11/h2-10H,1H3
InChIKeyWBEHLJGGQKPBGY-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.25
Rot. Bonds1

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

4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 621327) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID621327
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nc2ccccc2n2c(-c3ccccc3)nnc12
InChIInChI=1S/C16H12N4/c1-11-15-18-19-16(12-7-3-2-4-8-12)20(15)14-10-6-5-9-13(14)17-11/h2-10H,1H3
InChIKeyWBEHLJGGQKPBGY-UHFFFAOYSA-N
XLogP3.25
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 621327) is 4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1nc2ccccc2n2c(-c3ccccc3)nnc12.
What is the InChIKey of 4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is WBEHLJGGQKPBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-11-15-18-19-16(12-7-3-2-4-8-12)20(15)14-10-6-5-9-13(14)17-11/h2-10H,1H3.
What are the key properties of 4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline?
4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 260.30 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 621327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).