methyl 7-azidothieno[2,3-b]pyrazine-6-carboxylate

C8H5N5O2S — CID 134853526

IUPACmethyl 7-azidothieno[2,3-b]pyrazine-6-carboxylate
SMILESCOC(=O)c1sc2nccnc2c1N=[N+]=[N-]
InChIInChI=1S/C8H5N5O2S/c1-15-8(14)6-4(12-13-9)5-7(16-6)11-3-2-10-5/h2-3H,1H3
InChIKeyIBWRKJXHLDNNLP-UHFFFAOYSA-N
MW235.23 g/mol
LogP2.42
Rot. Bonds2

About methyl 7-azidothieno[2,3-b]pyrazine-6-carboxylate

methyl 7-azidothieno[2,3-b]pyrazine-6-carboxylate (PubChem CID 134853526) has the molecular formula C8H5N5O2S and a molecular weight of 235.23 g/mol. Its IUPAC name is methyl 7-azidothieno[2,3-b]pyrazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-azidothieno[2,3-b]pyrazine-6-carboxylate
PubChem CID134853526
Molecular FormulaC8H5N5O2S
Molecular Weight235.23 g/mol
Exact Mass235.02
IUPAC Namemethyl 7-azidothieno[2,3-b]pyrazine-6-carboxylate
SMILESCOC(=O)c1sc2nccnc2c1N=[N+]=[N-]
InChIInChI=1S/C8H5N5O2S/c1-15-8(14)6-4(12-13-9)5-7(16-6)11-3-2-10-5/h2-3H,1H3
InChIKeyIBWRKJXHLDNNLP-UHFFFAOYSA-N
XLogP2.42
TPSA100.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Thieno[2,3-b]pyrazine-6-carboxylic acid
CID 7164578
7-Aminothieno[2,3-b]pyrazine-6-carboxylic acid
CID 12225712
Methyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate
CID 2759783
Ethyl 7-aminothieno[2,3-b]pyrazine-6-carboxylate
CID 2820821
Methyl 7-bromothieno(2,3-b)pyrazine-6-carboxylate
CID 130058401
Ethyl 7-(2,2,2-trifluoroacetamido)thieno[2,3-b]pyrazine-6-carboxylate
CID 86680160
ethyl 7-(2,2,2-trifluoro-N-methylacetamido)thieno[2,3-b]pyrazine-6-carboxylate
CID 86680161
7-(2,2,2-trifluoro-N-methylacetamido)thieno[2,3-b]pyrazine-6-carboxylate
CID 86680162
7-(2,2,2-trifluoro-N-methylacetamido)thieno[2,3-b]pyrazine-6-carboxylic acid
CID 86680163
7-(N-ethyl-2,2,2-trifluoroacetamido)thieno[2,3-b]pyrazine-6-carboxylate
CID 86680171
7-[Ethyl-(2,2,2-trifluoroacetyl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid
CID 86680172
Ethyl 7-[ethyl-(2,2,2-trifluoroacetyl)amino]thieno[2,3-b]pyrazine-6-carboxylate
CID 87279099

Frequently Asked Questions

What is the IUPAC name of methyl 7-azidothieno[2,3-b]pyrazine-6-carboxylate?
The IUPAC name of methyl 7-azidothieno[2,3-b]pyrazine-6-carboxylate (CID 134853526) is methyl 7-azidothieno[2,3-b]pyrazine-6-carboxylate.
What is the SMILES notation for methyl 7-azidothieno[2,3-b]pyrazine-6-carboxylate?
The canonical SMILES for methyl 7-azidothieno[2,3-b]pyrazine-6-carboxylate is COC(=O)c1sc2nccnc2c1N=[N+]=[N-].
What is the InChIKey of methyl 7-azidothieno[2,3-b]pyrazine-6-carboxylate?
The InChIKey is IBWRKJXHLDNNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5O2S/c1-15-8(14)6-4(12-13-9)5-7(16-6)11-3-2-10-5/h2-3H,1H3.
What are the key properties of methyl 7-azidothieno[2,3-b]pyrazine-6-carboxylate?
methyl 7-azidothieno[2,3-b]pyrazine-6-carboxylate has a molecular weight of 235.23 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-azidothieno[2,3-b]pyrazine-6-carboxylate is sourced from PubChem (CID 134853526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).