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

C18H16N4O — CID 704762

IUPAC4-(2,4-dimethylphenoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1ccc(Oc2nc3ccccc3n3c(C)nnc23)c(C)c1
InChIInChI=1S/C18H16N4O/c1-11-8-9-16(12(2)10-11)23-18-17-21-20-13(3)22(17)15-7-5-4-6-14(15)19-18/h4-10H,1-3H3
InChIKeyIGRAIQBEFRSWCK-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.00
Rot. Bonds2

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

4-(2,4-dimethylphenoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 704762) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-(2,4-dimethylphenoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4-(2,4-dimethylphenoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID704762
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name4-(2,4-dimethylphenoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1ccc(Oc2nc3ccccc3n3c(C)nnc23)c(C)c1
InChIInChI=1S/C18H16N4O/c1-11-8-9-16(12(2)10-11)23-18-17-21-20-13(3)22(17)15-7-5-4-6-14(15)19-18/h4-10H,1-3H3
InChIKeyIGRAIQBEFRSWCK-UHFFFAOYSA-N
XLogP4.00
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4-(2,4-dimethylphenoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 704762) is 4-(2,4-dimethylphenoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4-(2,4-dimethylphenoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4-(2,4-dimethylphenoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1ccc(Oc2nc3ccccc3n3c(C)nnc23)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is IGRAIQBEFRSWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-11-8-9-16(12(2)10-11)23-18-17-21-20-13(3)22(17)15-7-5-4-6-14(15)19-18/h4-10H,1-3H3.
What are the key properties of 4-(2,4-dimethylphenoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
4-(2,4-dimethylphenoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 304.35 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 704762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).