4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxaline

C22H24N6 — CID 15989755

IUPAC4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1ccc2nc(N3CCN(c4cccc(C)c4C)CC3)c3nncn3c2c1
InChIInChI=1S/C22H24N6/c1-15-7-8-18-20(13-15)28-14-23-25-22(28)21(24-18)27-11-9-26(10-12-27)19-6-4-5-16(2)17(19)3/h4-8,13-14H,9-12H2,1-3H3
InChIKeyVMBZFRSCMGIIFJ-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.53
Rot. Bonds2

About 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxaline

4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 15989755) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID15989755
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC Name4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1ccc2nc(N3CCN(c4cccc(C)c4C)CC3)c3nncn3c2c1
InChIInChI=1S/C22H24N6/c1-15-7-8-18-20(13-15)28-14-23-25-22(28)21(24-18)27-11-9-26(10-12-27)19-6-4-5-16(2)17(19)3/h4-8,13-14H,9-12H2,1-3H3
InChIKeyVMBZFRSCMGIIFJ-UHFFFAOYSA-N
XLogP3.53
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 15989755) is 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1ccc2nc(N3CCN(c4cccc(C)c4C)CC3)c3nncn3c2c1.
What is the InChIKey of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is VMBZFRSCMGIIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6/c1-15-7-8-18-20(13-15)28-14-23-25-22(28)21(24-18)27-11-9-26(10-12-27)19-6-4-5-16(2)17(19)3/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 372.48 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 15989755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).