5-methyl-2-piperazin-1-ylquinoxaline;hydrochloride

C13H17ClN4 — CID 12686430

IUPAC5-methyl-2-piperazin-1-ylquinoxaline;hydrochloride
SMILESCc1cccc2nc(N3CCNCC3)cnc12.Cl
InChIInChI=1S/C13H16N4.ClH/c1-10-3-2-4-11-13(10)15-9-12(16-11)17-7-5-14-6-8-17;/h2-4,9,14H,5-8H2,1H3;1H
InChIKeyIHKSLOHEDWVLTO-UHFFFAOYSA-N
MW264.76 g/mol
LogP1.77
Rot. Bonds1

About 5-methyl-2-piperazin-1-ylquinoxaline;hydrochloride

5-methyl-2-piperazin-1-ylquinoxaline;hydrochloride (PubChem CID 12686430) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 5-methyl-2-piperazin-1-ylquinoxaline;hydrochloride.

Molecular Properties

Compound Name5-methyl-2-piperazin-1-ylquinoxaline;hydrochloride
PubChem CID12686430
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name5-methyl-2-piperazin-1-ylquinoxaline;hydrochloride
SMILESCc1cccc2nc(N3CCNCC3)cnc12.Cl
InChIInChI=1S/C13H16N4.ClH/c1-10-3-2-4-11-13(10)15-9-12(16-11)17-7-5-14-6-8-17;/h2-4,9,14H,5-8H2,1H3;1H
InChIKeyIHKSLOHEDWVLTO-UHFFFAOYSA-N
XLogP1.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-piperazin-1-ylquinoxaline;hydrochloride?
The IUPAC name of 5-methyl-2-piperazin-1-ylquinoxaline;hydrochloride (CID 12686430) is 5-methyl-2-piperazin-1-ylquinoxaline;hydrochloride.
What is the SMILES notation for 5-methyl-2-piperazin-1-ylquinoxaline;hydrochloride?
The canonical SMILES for 5-methyl-2-piperazin-1-ylquinoxaline;hydrochloride is Cc1cccc2nc(N3CCNCC3)cnc12.Cl.
What is the InChIKey of 5-methyl-2-piperazin-1-ylquinoxaline;hydrochloride?
The InChIKey is IHKSLOHEDWVLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4.ClH/c1-10-3-2-4-11-13(10)15-9-12(16-11)17-7-5-14-6-8-17;/h2-4,9,14H,5-8H2,1H3;1H.
What are the key properties of 5-methyl-2-piperazin-1-ylquinoxaline;hydrochloride?
5-methyl-2-piperazin-1-ylquinoxaline;hydrochloride has a molecular weight of 264.76 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperazin-1-ylquinoxaline;hydrochloride is sourced from PubChem (CID 12686430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).