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

C16H13N5O — CID 5295766

IUPACN-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCOc1ccccc1Nc1nc2ccccc2n2cnnc12
InChIInChI=1S/C16H13N5O/c1-22-14-9-5-3-7-12(14)19-15-16-20-17-10-21(16)13-8-4-2-6-11(13)18-15/h2-10H,1H3,(H,18,19)
InChIKeyVWDRHDXMEZIEHL-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.03
Rot. Bonds3

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

N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 5295766) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID5295766
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC NameN-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCOc1ccccc1Nc1nc2ccccc2n2cnnc12
InChIInChI=1S/C16H13N5O/c1-22-14-9-5-3-7-12(14)19-15-16-20-17-10-21(16)13-8-4-2-6-11(13)18-15/h2-10H,1H3,(H,18,19)
InChIKeyVWDRHDXMEZIEHL-UHFFFAOYSA-N
XLogP3.03
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 5295766) is N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is COc1ccccc1Nc1nc2ccccc2n2cnnc12.
What is the InChIKey of N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is VWDRHDXMEZIEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-22-14-9-5-3-7-12(14)19-15-16-20-17-10-21(16)13-8-4-2-6-11(13)18-15/h2-10H,1H3,(H,18,19).
What are the key properties of N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 291.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 5295766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).