8-chloro-7-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline

C14H14ClFN6 — CID 58475826

IUPAC8-chloro-7-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCN1CCN(c2nc3cc(F)c(Cl)cc3n3cnnc23)CC1
InChIInChI=1S/C14H14ClFN6/c1-20-2-4-21(5-3-20)13-14-19-17-8-22(14)12-6-9(15)10(16)7-11(12)18-13/h6-8H,2-5H2,1H3
InChIKeyHTBCMUHYLYQFFM-UHFFFAOYSA-N
MW320.76 g/mol
LogP1.82
Rot. Bonds1

About 8-chloro-7-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline

8-chloro-7-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 58475826) has the molecular formula C14H14ClFN6 and a molecular weight of 320.76 g/mol. Its IUPAC name is 8-chloro-7-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name8-chloro-7-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID58475826
Molecular FormulaC14H14ClFN6
Molecular Weight320.76 g/mol
Exact Mass320.10
IUPAC Name8-chloro-7-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCN1CCN(c2nc3cc(F)c(Cl)cc3n3cnnc23)CC1
InChIInChI=1S/C14H14ClFN6/c1-20-2-4-21(5-3-20)13-14-19-17-8-22(14)12-6-9(15)10(16)7-11(12)18-13/h6-8H,2-5H2,1H3
InChIKeyHTBCMUHYLYQFFM-UHFFFAOYSA-N
XLogP1.82
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.76
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 8-chloro-7-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline (CID 58475826) is 8-chloro-7-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 8-chloro-7-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 8-chloro-7-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline is CN1CCN(c2nc3cc(F)c(Cl)cc3n3cnnc23)CC1.
What is the InChIKey of 8-chloro-7-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is HTBCMUHYLYQFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN6/c1-20-2-4-21(5-3-20)13-14-19-17-8-22(14)12-6-9(15)10(16)7-11(12)18-13/h6-8H,2-5H2,1H3.
What are the key properties of 8-chloro-7-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
8-chloro-7-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 320.76 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 58475826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).