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

C15H18N6 — CID 763018

IUPAC1-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nnc2c(N3CCN(C)CC3)nc3ccccc3n12
InChIInChI=1S/C15H18N6/c1-11-17-18-15-14(20-9-7-19(2)8-10-20)16-12-5-3-4-6-13(12)21(11)15/h3-6H,7-10H2,1-2H3
InChIKeyBYJIHFVEVDMDII-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.34
Rot. Bonds1

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

1-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 763018) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name1-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID763018
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name1-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nnc2c(N3CCN(C)CC3)nc3ccccc3n12
InChIInChI=1S/C15H18N6/c1-11-17-18-15-14(20-9-7-19(2)8-10-20)16-12-5-3-4-6-13(12)21(11)15/h3-6H,7-10H2,1-2H3
InChIKeyBYJIHFVEVDMDII-UHFFFAOYSA-N
XLogP1.34
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 1-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline (CID 763018) is 1-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 1-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 1-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1nnc2c(N3CCN(C)CC3)nc3ccccc3n12.
What is the InChIKey of 1-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is BYJIHFVEVDMDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-11-17-18-15-14(20-9-7-19(2)8-10-20)16-12-5-3-4-6-13(12)21(11)15/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
1-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 282.35 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 763018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).