8-bromo-2-methyl-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline

C14H15BrN6 — CID 53380576

IUPAC8-bromo-2-methyl-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline
SMILESCc1nc2c(N3CCNCC3)nc3ccc(Br)cc3n2n1
InChIInChI=1S/C14H15BrN6/c1-9-17-14-13(20-6-4-16-5-7-20)18-11-3-2-10(15)8-12(11)21(14)19-9/h2-3,8,16H,4-7H2,1H3
InChIKeyMTDOUTAUFWZGEP-UHFFFAOYSA-N
MW347.22 g/mol
LogP1.76
Rot. Bonds1

About 8-bromo-2-methyl-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline

8-bromo-2-methyl-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline (PubChem CID 53380576) has the molecular formula C14H15BrN6 and a molecular weight of 347.22 g/mol. Its IUPAC name is 8-bromo-2-methyl-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline.

Molecular Properties

Compound Name8-bromo-2-methyl-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline
PubChem CID53380576
Molecular FormulaC14H15BrN6
Molecular Weight347.22 g/mol
Exact Mass346.05
IUPAC Name8-bromo-2-methyl-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline
SMILESCc1nc2c(N3CCNCC3)nc3ccc(Br)cc3n2n1
InChIInChI=1S/C14H15BrN6/c1-9-17-14-13(20-6-4-16-5-7-20)18-11-3-2-10(15)8-12(11)21(14)19-9/h2-3,8,16H,4-7H2,1H3
InChIKeyMTDOUTAUFWZGEP-UHFFFAOYSA-N
XLogP1.76
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-methyl-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline?
The IUPAC name of 8-bromo-2-methyl-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline (CID 53380576) is 8-bromo-2-methyl-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline.
What is the SMILES notation for 8-bromo-2-methyl-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline?
The canonical SMILES for 8-bromo-2-methyl-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline is Cc1nc2c(N3CCNCC3)nc3ccc(Br)cc3n2n1.
What is the InChIKey of 8-bromo-2-methyl-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline?
The InChIKey is MTDOUTAUFWZGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN6/c1-9-17-14-13(20-6-4-16-5-7-20)18-11-3-2-10(15)8-12(11)21(14)19-9/h2-3,8,16H,4-7H2,1H3.
What are the key properties of 8-bromo-2-methyl-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline?
8-bromo-2-methyl-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline has a molecular weight of 347.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-methyl-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline is sourced from PubChem (CID 53380576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).