ethyl 2-(tetrazolo[1,5-a]quinoxalin-4-ylsulfanyl)acetate

C12H11N5O2S — CID 22434313

IUPACethyl 2-(tetrazolo[1,5-a]quinoxalin-4-ylsulfanyl)acetate
SMILESCCOC(=O)CSc1nc2ccccc2n2nnnc12
InChIInChI=1S/C12H11N5O2S/c1-2-19-10(18)7-20-12-11-14-15-16-17(11)9-6-4-3-5-8(9)13-12/h3-6H,2,7H2,1H3
InChIKeyBPELCLNSXIKEBX-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.33
Rot. Bonds4

About ethyl 2-(tetrazolo[1,5-a]quinoxalin-4-ylsulfanyl)acetate

ethyl 2-(tetrazolo[1,5-a]quinoxalin-4-ylsulfanyl)acetate (PubChem CID 22434313) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is ethyl 2-(tetrazolo[1,5-a]quinoxalin-4-ylsulfanyl)acetate.

Molecular Properties

Compound Nameethyl 2-(tetrazolo[1,5-a]quinoxalin-4-ylsulfanyl)acetate
PubChem CID22434313
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC Nameethyl 2-(tetrazolo[1,5-a]quinoxalin-4-ylsulfanyl)acetate
SMILESCCOC(=O)CSc1nc2ccccc2n2nnnc12
InChIInChI=1S/C12H11N5O2S/c1-2-19-10(18)7-20-12-11-14-15-16-17(11)9-6-4-3-5-8(9)13-12/h3-6H,2,7H2,1H3
InChIKeyBPELCLNSXIKEBX-UHFFFAOYSA-N
XLogP1.33
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(tetrazolo[1,5-a]quinoxalin-4-ylsulfanyl)acetate?
The IUPAC name of ethyl 2-(tetrazolo[1,5-a]quinoxalin-4-ylsulfanyl)acetate (CID 22434313) is ethyl 2-(tetrazolo[1,5-a]quinoxalin-4-ylsulfanyl)acetate.
What is the SMILES notation for ethyl 2-(tetrazolo[1,5-a]quinoxalin-4-ylsulfanyl)acetate?
The canonical SMILES for ethyl 2-(tetrazolo[1,5-a]quinoxalin-4-ylsulfanyl)acetate is CCOC(=O)CSc1nc2ccccc2n2nnnc12.
What is the InChIKey of ethyl 2-(tetrazolo[1,5-a]quinoxalin-4-ylsulfanyl)acetate?
The InChIKey is BPELCLNSXIKEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c1-2-19-10(18)7-20-12-11-14-15-16-17(11)9-6-4-3-5-8(9)13-12/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-(tetrazolo[1,5-a]quinoxalin-4-ylsulfanyl)acetate?
ethyl 2-(tetrazolo[1,5-a]quinoxalin-4-ylsulfanyl)acetate has a molecular weight of 289.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(tetrazolo[1,5-a]quinoxalin-4-ylsulfanyl)acetate is sourced from PubChem (CID 22434313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).