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

C14H14N4O2S — CID 15989908

IUPACethyl 2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetate
SMILESCCOC(=O)CSc1nc2ccccc2n2c(C)nnc12
InChIInChI=1S/C14H14N4O2S/c1-3-20-12(19)8-21-14-13-17-16-9(2)18(13)11-7-5-4-6-10(11)15-14/h4-7H,3,8H2,1-2H3
InChIKeyLZOSVOWAEGOYNU-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.24
Rot. Bonds4

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

ethyl 2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetate (PubChem CID 15989908) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is ethyl 2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetate
PubChem CID15989908
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Nameethyl 2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetate
SMILESCCOC(=O)CSc1nc2ccccc2n2c(C)nnc12
InChIInChI=1S/C14H14N4O2S/c1-3-20-12(19)8-21-14-13-17-16-9(2)18(13)11-7-5-4-6-10(11)15-14/h4-7H,3,8H2,1-2H3
InChIKeyLZOSVOWAEGOYNU-UHFFFAOYSA-N
XLogP2.24
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetate?
The IUPAC name of ethyl 2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetate (CID 15989908) is ethyl 2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetate.
What is the SMILES notation for ethyl 2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetate?
The canonical SMILES for ethyl 2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetate is CCOC(=O)CSc1nc2ccccc2n2c(C)nnc12.
What is the InChIKey of ethyl 2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetate?
The InChIKey is LZOSVOWAEGOYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-3-20-12(19)8-21-14-13-17-16-9(2)18(13)11-7-5-4-6-10(11)15-14/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetate?
ethyl 2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetate has a molecular weight of 302.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetate is sourced from PubChem (CID 15989908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).