ethyl 6-thiophen-2-ylthieno[2,3-e][1,2,4]triazine-3-carboxylate

C12H9N3O2S2 — CID 6409894

IUPACethyl 6-thiophen-2-ylthieno[2,3-e][1,2,4]triazine-3-carboxylate
SMILESCCOC(=O)c1nnc2cc(-c3cccs3)sc2n1
InChIInChI=1S/C12H9N3O2S2/c1-2-17-12(16)10-13-11-7(14-15-10)6-9(19-11)8-4-3-5-18-8/h3-6H,2H2,1H3
InChIKeyPMWYDTUVYZGLLA-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.99
Rot. Bonds3

About ethyl 6-thiophen-2-ylthieno[2,3-e][1,2,4]triazine-3-carboxylate

ethyl 6-thiophen-2-ylthieno[2,3-e][1,2,4]triazine-3-carboxylate (PubChem CID 6409894) has the molecular formula C12H9N3O2S2 and a molecular weight of 291.36 g/mol. Its IUPAC name is ethyl 6-thiophen-2-ylthieno[2,3-e][1,2,4]triazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-thiophen-2-ylthieno[2,3-e][1,2,4]triazine-3-carboxylate
PubChem CID6409894
Molecular FormulaC12H9N3O2S2
Molecular Weight291.36 g/mol
Exact Mass291.01
IUPAC Nameethyl 6-thiophen-2-ylthieno[2,3-e][1,2,4]triazine-3-carboxylate
SMILESCCOC(=O)c1nnc2cc(-c3cccs3)sc2n1
InChIInChI=1S/C12H9N3O2S2/c1-2-17-12(16)10-13-11-7(14-15-10)6-9(19-11)8-4-3-5-18-8/h3-6H,2H2,1H3
InChIKeyPMWYDTUVYZGLLA-UHFFFAOYSA-N
XLogP2.99
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-thiophen-2-ylthieno[2,3-e][1,2,4]triazine-3-carboxylate?
The IUPAC name of ethyl 6-thiophen-2-ylthieno[2,3-e][1,2,4]triazine-3-carboxylate (CID 6409894) is ethyl 6-thiophen-2-ylthieno[2,3-e][1,2,4]triazine-3-carboxylate.
What is the SMILES notation for ethyl 6-thiophen-2-ylthieno[2,3-e][1,2,4]triazine-3-carboxylate?
The canonical SMILES for ethyl 6-thiophen-2-ylthieno[2,3-e][1,2,4]triazine-3-carboxylate is CCOC(=O)c1nnc2cc(-c3cccs3)sc2n1.
What is the InChIKey of ethyl 6-thiophen-2-ylthieno[2,3-e][1,2,4]triazine-3-carboxylate?
The InChIKey is PMWYDTUVYZGLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S2/c1-2-17-12(16)10-13-11-7(14-15-10)6-9(19-11)8-4-3-5-18-8/h3-6H,2H2,1H3.
What are the key properties of ethyl 6-thiophen-2-ylthieno[2,3-e][1,2,4]triazine-3-carboxylate?
ethyl 6-thiophen-2-ylthieno[2,3-e][1,2,4]triazine-3-carboxylate has a molecular weight of 291.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-thiophen-2-ylthieno[2,3-e][1,2,4]triazine-3-carboxylate is sourced from PubChem (CID 6409894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).