4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carbonitrile

C15H15N7 — CID 58475593

IUPAC4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carbonitrile
SMILESCN1CCN(c2nc3ccc(C#N)cc3n3cnnc23)CC1
InChIInChI=1S/C15H15N7/c1-20-4-6-21(7-5-20)14-15-19-17-10-22(15)13-8-11(9-16)2-3-12(13)18-14/h2-3,8,10H,4-7H2,1H3
InChIKeyUANKYYNEICIVCP-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.90
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carbonitrile

4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carbonitrile (PubChem CID 58475593) has the molecular formula C15H15N7 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carbonitrile.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carbonitrile
PubChem CID58475593
Molecular FormulaC15H15N7
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carbonitrile
SMILESCN1CCN(c2nc3ccc(C#N)cc3n3cnnc23)CC1
InChIInChI=1S/C15H15N7/c1-20-4-6-21(7-5-20)14-15-19-17-10-22(15)13-8-11(9-16)2-3-12(13)18-14/h2-3,8,10H,4-7H2,1H3
InChIKeyUANKYYNEICIVCP-UHFFFAOYSA-N
XLogP0.90
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]quinoxaline-8-carbonitrile
CID 58475249
8-chloro-7-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 58475616
8-chloro-7-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 58475826
4-[4-(2-methoxyphenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 20880232
8-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 22431420
8-chloro-4-(4-cyclohexylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 22431422
12-chloro-11-isocyano-7-(4-methylpiperazin-1-yl)-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
CID 123807903
[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-phenylmethanone
CID 15989785
8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)imidazo[1,2-a]quinoxaline
CID 58475383
4-(4-methylpiperazin-1-yl)benzonitrile
CID 763205
4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 7304641
8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoline
CID 53380276

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carbonitrile?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carbonitrile (CID 58475593) is 4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carbonitrile.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carbonitrile?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carbonitrile is CN1CCN(c2nc3ccc(C#N)cc3n3cnnc23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carbonitrile?
The InChIKey is UANKYYNEICIVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7/c1-20-4-6-21(7-5-20)14-15-19-17-10-22(15)13-8-11(9-16)2-3-12(13)18-14/h2-3,8,10H,4-7H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carbonitrile?
4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carbonitrile has a molecular weight of 293.33 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carbonitrile is sourced from PubChem (CID 58475593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).