N-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C17H15N5O2 — CID 5295765

IUPACN-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCOc1ccc(OC)c(Nc2nc3ccccc3n3cnnc23)c1
InChIInChI=1S/C17H15N5O2/c1-23-11-7-8-15(24-2)13(9-11)20-16-17-21-18-10-22(17)14-6-4-3-5-12(14)19-16/h3-10H,1-2H3,(H,19,20)
InChIKeyMVTWTQUJEWBDAG-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.04
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

N-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 5295765) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID5295765
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC NameN-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCOc1ccc(OC)c(Nc2nc3ccccc3n3cnnc23)c1
InChIInChI=1S/C17H15N5O2/c1-23-11-7-8-15(24-2)13(9-11)20-16-17-21-18-10-22(17)14-6-4-3-5-12(14)19-16/h3-10H,1-2H3,(H,19,20)
InChIKeyMVTWTQUJEWBDAG-UHFFFAOYSA-N
XLogP3.04
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 5295765) is N-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is COc1ccc(OC)c(Nc2nc3ccccc3n3cnnc23)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is MVTWTQUJEWBDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-23-11-7-8-15(24-2)13(9-11)20-16-17-21-18-10-22(17)14-6-4-3-5-12(14)19-16/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 321.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 5295765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).