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

C16H12N4O — CID 742418

IUPAC4-(2-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1ccccc1Oc1nc2ccccc2n2cnnc12
InChIInChI=1S/C16H12N4O/c1-11-6-2-5-9-14(11)21-16-15-19-17-10-20(15)13-8-4-3-7-12(13)18-16/h2-10H,1H3
InChIKeyIZAFLPIWXWDMGN-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.38
Rot. Bonds2

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

4-(2-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 742418) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4-(2-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID742418
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name4-(2-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1ccccc1Oc1nc2ccccc2n2cnnc12
InChIInChI=1S/C16H12N4O/c1-11-6-2-5-9-14(11)21-16-15-19-17-10-20(15)13-8-4-3-7-12(13)18-16/h2-10H,1H3
InChIKeyIZAFLPIWXWDMGN-UHFFFAOYSA-N
XLogP3.38
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4-(2-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline (CID 742418) is 4-(2-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4-(2-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4-(2-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1ccccc1Oc1nc2ccccc2n2cnnc12.
What is the InChIKey of 4-(2-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is IZAFLPIWXWDMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-11-6-2-5-9-14(11)21-16-15-19-17-10-20(15)13-8-4-3-7-12(13)18-16/h2-10H,1H3.
What are the key properties of 4-(2-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline?
4-(2-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 276.30 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 742418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).