7-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine

C8H5N5S — CID 5305166

IUPAC7-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESc1csc(-c2cnn3cnnc3n2)c1
InChIInChI=1S/C8H5N5S/c1-2-7(14-3-1)6-4-10-13-5-9-12-8(13)11-6/h1-5H
InChIKeyJLFKJLLFXMXXPK-UHFFFAOYSA-N
MW203.23 g/mol
LogP1.25
Rot. Bonds1

About 7-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine

7-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine (PubChem CID 5305166) has the molecular formula C8H5N5S and a molecular weight of 203.23 g/mol. Its IUPAC name is 7-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine.

Molecular Properties

Compound Name7-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
PubChem CID5305166
Molecular FormulaC8H5N5S
Molecular Weight203.23 g/mol
Exact Mass203.03
IUPAC Name7-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESc1csc(-c2cnn3cnnc3n2)c1
InChIInChI=1S/C8H5N5S/c1-2-7(14-3-1)6-4-10-13-5-9-12-8(13)11-6/h1-5H
InChIKeyJLFKJLLFXMXXPK-UHFFFAOYSA-N
XLogP1.25
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The IUPAC name of 7-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine (CID 5305166) is 7-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine.
What is the SMILES notation for 7-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The canonical SMILES for 7-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine is c1csc(-c2cnn3cnnc3n2)c1.
What is the InChIKey of 7-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The InChIKey is JLFKJLLFXMXXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5S/c1-2-7(14-3-1)6-4-10-13-5-9-12-8(13)11-6/h1-5H.
What are the key properties of 7-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
7-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine has a molecular weight of 203.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine is sourced from PubChem (CID 5305166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).