ethyl 4-(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate

C17H20N6O2 — CID 24747956

IUPACethyl 4-(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc3ccc(C)cc3n3cnnc23)CC1
InChIInChI=1S/C17H20N6O2/c1-3-25-17(24)22-8-6-21(7-9-22)15-16-20-18-11-23(16)14-10-12(2)4-5-13(14)19-15/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyRCLPMSKDHPKKKU-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.86
Rot. Bonds2

About ethyl 4-(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate

ethyl 4-(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate (PubChem CID 24747956) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is ethyl 4-(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate
PubChem CID24747956
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Nameethyl 4-(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc3ccc(C)cc3n3cnnc23)CC1
InChIInChI=1S/C17H20N6O2/c1-3-25-17(24)22-8-6-21(7-9-22)15-16-20-18-11-23(16)14-10-12(2)4-5-13(14)19-15/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyRCLPMSKDHPKKKU-UHFFFAOYSA-N
XLogP1.86
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate (CID 24747956) is ethyl 4-(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc3ccc(C)cc3n3cnnc23)CC1.
What is the InChIKey of ethyl 4-(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate?
The InChIKey is RCLPMSKDHPKKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-3-25-17(24)22-8-6-21(7-9-22)15-16-20-18-11-23(16)14-10-12(2)4-5-13(14)19-15/h4-5,10-11H,3,6-9H2,1-2H3.
What are the key properties of ethyl 4-(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate?
ethyl 4-(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate has a molecular weight of 340.39 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 24747956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).