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

C15H15F3N6 — CID 140574337

IUPAC1-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCN1CCN(c2nnc3cnc4ccc(C(F)(F)F)cc4n23)CC1
InChIInChI=1S/C15H15F3N6/c1-22-4-6-23(7-5-22)14-21-20-13-9-19-11-3-2-10(15(16,17)18)8-12(11)24(13)14/h2-3,8-9H,4-7H2,1H3
InChIKeyKLAXCEKLDJPIRS-UHFFFAOYSA-N
MW336.32 g/mol
LogP2.05
Rot. Bonds1

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

1-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 140574337) has the molecular formula C15H15F3N6 and a molecular weight of 336.32 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID140574337
Molecular FormulaC15H15F3N6
Molecular Weight336.32 g/mol
Exact Mass336.13
IUPAC Name1-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCN1CCN(c2nnc3cnc4ccc(C(F)(F)F)cc4n23)CC1
InChIInChI=1S/C15H15F3N6/c1-22-4-6-23(7-5-22)14-21-20-13-9-19-11-3-2-10(15(16,17)18)8-12(11)24(13)14/h2-3,8-9H,4-7H2,1H3
InChIKeyKLAXCEKLDJPIRS-UHFFFAOYSA-N
XLogP2.05
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzimidazole
CID 91474123
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
1-methyl-4-[2-methyl-5-(trifluoromethyl)phenyl]piperazine
CID 70812559
4-(4-methylpiperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline
CID 21029579
2-(4-methylpiperazin-1-yl)-8-phenyl-6-(trifluoromethyl)quinoxaline
CID 44581670
6-(trifluoromethyl)benzotriazol-1-amine
CID 123807461
3-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)-2H-1,2,4-benzothiadiazine
CID 149159402
1-ethenyl-5-(4-methylpiperazin-1-yl)-2,9-bis(trifluoromethyl)pyrazolo[1,5-c]quinazoline
CID 162601554
6-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one
CID 139668161
5-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 141324046
1-(4-methylpiperazin-1-yl)-6-phenyl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 154148139
1-propyl-6-(trifluoromethyl)benzotriazole
CID 134298697

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline (CID 140574337) is 1-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline is CN1CCN(c2nnc3cnc4ccc(C(F)(F)F)cc4n23)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is KLAXCEKLDJPIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6/c1-22-4-6-23(7-5-22)14-21-20-13-9-19-11-3-2-10(15(16,17)18)8-12(11)24(13)14/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
1-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 336.32 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 140574337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).