2-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[1,5-a]quinoxaline

C17H14N4O — CID 118721486

IUPAC2-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[1,5-a]quinoxaline
SMILESCOc1ccc(-c2nc3cnc4ccc(C)cc4n3n2)cc1
InChIInChI=1S/C17H14N4O/c1-11-3-8-14-15(9-11)21-16(10-18-14)19-17(20-21)12-4-6-13(22-2)7-5-12/h3-10H,1-2H3
InChIKeyDIJGYMFCQTYMFB-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.26
Rot. Bonds2

About 2-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[1,5-a]quinoxaline

2-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[1,5-a]quinoxaline (PubChem CID 118721486) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[1,5-a]quinoxaline.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[1,5-a]quinoxaline
PubChem CID118721486
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name2-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[1,5-a]quinoxaline
SMILESCOc1ccc(-c2nc3cnc4ccc(C)cc4n3n2)cc1
InChIInChI=1S/C17H14N4O/c1-11-3-8-14-15(9-11)21-16(10-18-14)19-17(20-21)12-4-6-13(22-2)7-5-12/h3-10H,1-2H3
InChIKeyDIJGYMFCQTYMFB-UHFFFAOYSA-N
XLogP3.26
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[1,5-a]quinoxaline?
The IUPAC name of 2-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[1,5-a]quinoxaline (CID 118721486) is 2-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[1,5-a]quinoxaline.
What is the SMILES notation for 2-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[1,5-a]quinoxaline?
The canonical SMILES for 2-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[1,5-a]quinoxaline is COc1ccc(-c2nc3cnc4ccc(C)cc4n3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[1,5-a]quinoxaline?
The InChIKey is DIJGYMFCQTYMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-11-3-8-14-15(9-11)21-16(10-18-14)19-17(20-21)12-4-6-13(22-2)7-5-12/h3-10H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[1,5-a]quinoxaline?
2-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[1,5-a]quinoxaline has a molecular weight of 290.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-8-methyl-[1,2,4]triazolo[1,5-a]quinoxaline is sourced from PubChem (CID 118721486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).