ethyl 2-[(5-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)sulfanyl]acetate

C15H16N4O3S — CID 72697755

IUPACethyl 2-[(5-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)sulfanyl]acetate
SMILESCCOC(=O)CSc1nnc2c(=O)n(CC)c3ccccc3n12
InChIInChI=1S/C15H16N4O3S/c1-3-18-10-7-5-6-8-11(10)19-13(14(18)21)16-17-15(19)23-9-12(20)22-4-2/h5-8H,3-4,9H2,1-2H3
InChIKeySEQZHMJQQVXIBR-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.72
Rot. Bonds5

About ethyl 2-[(5-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)sulfanyl]acetate

ethyl 2-[(5-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)sulfanyl]acetate (PubChem CID 72697755) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is ethyl 2-[(5-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)sulfanyl]acetate
PubChem CID72697755
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Nameethyl 2-[(5-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)sulfanyl]acetate
SMILESCCOC(=O)CSc1nnc2c(=O)n(CC)c3ccccc3n12
InChIInChI=1S/C15H16N4O3S/c1-3-18-10-7-5-6-8-11(10)19-13(14(18)21)16-17-15(19)23-9-12(20)22-4-2/h5-8H,3-4,9H2,1-2H3
InChIKeySEQZHMJQQVXIBR-UHFFFAOYSA-N
XLogP1.72
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[(5-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)sulfanyl]acetate with MolForge

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Launch Full Analysis

Related Compounds

butyl 2-[(5-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)sulfanyl]acetate
CID 72697758
2-[(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetamide
CID 2772756
ethyl 2-[(7,8-dimethoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetate
CID 1135739
ethyl 2-[[4-[2-(cyclohexylamino)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl]sulfanyl]acetate
CID 1429272
ethyl 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 1151992
ethyl 2-[(7-methyl-12,14-dioxa-2,4,5-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),3,5,7,9,11(15)-hexaen-3-yl)sulfanyl]acetate
CID 1135876
ethyl 2-[10-(2-ethoxy-2-oxoethyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]acetate
CID 4065674
ethyl 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 736523
ethyl 2-[(4-benzyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 3168297
ethyl 2-[[5-(2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 135547374
[2-(methylamino)-2-oxoethyl] 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 8655729
ethyl 2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetate
CID 2618905

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)sulfanyl]acetate?
The IUPAC name of ethyl 2-[(5-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)sulfanyl]acetate (CID 72697755) is ethyl 2-[(5-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)sulfanyl]acetate.
What is the SMILES notation for ethyl 2-[(5-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)sulfanyl]acetate?
The canonical SMILES for ethyl 2-[(5-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)sulfanyl]acetate is CCOC(=O)CSc1nnc2c(=O)n(CC)c3ccccc3n12.
What is the InChIKey of ethyl 2-[(5-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)sulfanyl]acetate?
The InChIKey is SEQZHMJQQVXIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-3-18-10-7-5-6-8-11(10)19-13(14(18)21)16-17-15(19)23-9-12(20)22-4-2/h5-8H,3-4,9H2,1-2H3.
What are the key properties of ethyl 2-[(5-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)sulfanyl]acetate?
ethyl 2-[(5-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)sulfanyl]acetate has a molecular weight of 332.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)sulfanyl]acetate is sourced from PubChem (CID 72697755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).