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

C17H14N4O — CID 11580142

IUPAC1-(4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCOc1ccc(-c2nnc3c(C)nc4ccccc4n23)cc1
InChIInChI=1S/C17H14N4O/c1-11-16-19-20-17(12-7-9-13(22-2)10-8-12)21(16)15-6-4-3-5-14(15)18-11/h3-10H,1-2H3
InChIKeySXDKMJCTZPWIFN-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.26
Rot. Bonds2

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

1-(4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 11580142) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID11580142
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name1-(4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCOc1ccc(-c2nnc3c(C)nc4ccccc4n23)cc1
InChIInChI=1S/C17H14N4O/c1-11-16-19-20-17(12-7-9-13(22-2)10-8-12)21(16)15-6-4-3-5-14(15)18-11/h3-10H,1-2H3
InChIKeySXDKMJCTZPWIFN-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 1-(4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 1-(4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 11580142) is 1-(4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 1-(4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is COc1ccc(-c2nnc3c(C)nc4ccccc4n23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is SXDKMJCTZPWIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-11-16-19-20-17(12-7-9-13(22-2)10-8-12)21(16)15-6-4-3-5-14(15)18-11/h3-10H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
1-(4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-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 1-(4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 11580142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).