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

C21H22N6O — CID 1325761

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCOc1ccccc1N1CCN(c2nc3ccccc3n3c(C)nnc23)CC1
InChIInChI=1S/C21H22N6O/c1-15-23-24-21-20(22-16-7-3-4-8-17(16)27(15)21)26-13-11-25(12-14-26)18-9-5-6-10-19(18)28-2/h3-10H,11-14H2,1-2H3
InChIKeyXHEVJBHVHWOMTH-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.92
Rot. Bonds3

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

4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 1325761) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID1325761
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCOc1ccccc1N1CCN(c2nc3ccccc3n3c(C)nnc23)CC1
InChIInChI=1S/C21H22N6O/c1-15-23-24-21-20(22-16-7-3-4-8-17(16)27(15)21)26-13-11-25(12-14-26)18-9-5-6-10-19(18)28-2/h3-10H,11-14H2,1-2H3
InChIKeyXHEVJBHVHWOMTH-UHFFFAOYSA-N
XLogP2.92
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline with MolForge

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Related Compounds

4-[4-(2-methoxyphenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 20880232
1-methyl-4-[(3R)-3-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxaline
CID 899502
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine
CID 10109444
12-chloro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 110188007
1-(4-fluorophenyl)-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 838791
3-ethyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
CID 20927489
1-ethyl-4-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 20921368
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
1-ethynyl-4-(2-methoxyphenyl)piperazine
CID 67760707
[1-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-phenylmethanone
CID 23004432
1-(furan-2-yl)-4-(4-methylpiperazin-4-ium-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 6973823
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline
CID 22330526

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 1325761) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is COc1ccccc1N1CCN(c2nc3ccccc3n3c(C)nnc23)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is XHEVJBHVHWOMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-15-23-24-21-20(22-16-7-3-4-8-17(16)27(15)21)26-13-11-25(12-14-26)18-9-5-6-10-19(18)28-2/h3-10H,11-14H2,1-2H3.
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 374.45 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 1325761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).