1-methyl-4-(4-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline

C17H14N4O — CID 660063

IUPAC1-methyl-4-(4-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1ccc(Oc2nc3ccccc3n3c(C)nnc23)cc1
InChIInChI=1S/C17H14N4O/c1-11-7-9-13(10-8-11)22-17-16-20-19-12(2)21(16)15-6-4-3-5-14(15)18-17/h3-10H,1-2H3
InChIKeyDQAGPXQHBAXESW-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.69
Rot. Bonds2

About 1-methyl-4-(4-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline

1-methyl-4-(4-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 660063) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-methyl-4-(4-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name1-methyl-4-(4-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID660063
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name1-methyl-4-(4-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1ccc(Oc2nc3ccccc3n3c(C)nnc23)cc1
InChIInChI=1S/C17H14N4O/c1-11-7-9-13(10-8-11)22-17-16-20-19-12(2)21(16)15-6-4-3-5-14(15)18-17/h3-10H,1-2H3
InChIKeyDQAGPXQHBAXESW-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Fluoro-5-methoxyphenyl)-12-methoxy-5-methyl-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 46200734
1-(5-Butoxypyridin-3-Yl)-4-Methyl-8-(Morpholin-4-Ylmethyl)[1,2,4]triazolo[4,3-A]quinoxaline
CID 71153408
Triazolo-pyridine derivative 5
CID 71295652
1-Methyl-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxaline
CID 1415680
US11419874, Example 5
CID 110173727
1-Methyl-2-p-tolyloxymethyl-1H-benzoimidazole
CID 1080077
1-methyl-4-[(1-methyl-1H-benzimidazol-2-yl)methoxy]phthalazine
CID 3131353
5-Butyl-2-(4-ethoxy-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 10269139
6-Fluoro-1-(2-fluoro-5-methoxyphenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 46198523
3-(2-Fluoro-5-propan-2-yloxyphenyl)-12-methoxy-5-methyl-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 46198541
3-(5-Ethoxy-2-fluorophenyl)-12-methoxy-5-methyl-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 46199167
12-Methoxy-5-methyl-3-(2-methylphenyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 46199487

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 1-methyl-4-(4-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline (CID 660063) is 1-methyl-4-(4-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 1-methyl-4-(4-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 1-methyl-4-(4-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1ccc(Oc2nc3ccccc3n3c(C)nnc23)cc1.
What is the InChIKey of 1-methyl-4-(4-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is DQAGPXQHBAXESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-11-7-9-13(10-8-11)22-17-16-20-19-12(2)21(16)15-6-4-3-5-14(15)18-17/h3-10H,1-2H3.
What are the key properties of 1-methyl-4-(4-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline?
1-methyl-4-(4-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 290.33 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 660063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).