5-(5-thiophen-2-ylthiophen-2-yl)-3-[6-[5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazin-3-yl]-2-pyridinyl]-1,2,4-triazine

C27H15N7S4 — CID 15426249

IUPAC5-(5-thiophen-2-ylthiophen-2-yl)-3-[6-[5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazin-3-yl]-2-pyridinyl]-1,2,4-triazine
SMILESc1cc(-c2nncc(-c3ccc(-c4cccs4)s3)n2)nc(-c2nncc(-c3ccc(-c4cccs4)s3)n2)c1
InChIInChI=1S/C27H15N7S4/c1-4-16(26-31-18(14-28-33-26)20-8-10-24(37-20)22-6-2-12-35-22)30-17(5-1)27-32-19(15-29-34-27)21-9-11-25(38-21)23-7-3-13-36-23/h1-15H
InChIKeyWOSGEWOJKOLZBM-UHFFFAOYSA-N
MW565.73 g/mol
LogP7.70
Rot. Bonds6

About 5-(5-thiophen-2-ylthiophen-2-yl)-3-[6-[5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazin-3-yl]-2-pyridinyl]-1,2,4-triazine

5-(5-thiophen-2-ylthiophen-2-yl)-3-[6-[5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazin-3-yl]-2-pyridinyl]-1,2,4-triazine (PubChem CID 15426249) has the molecular formula C27H15N7S4 and a molecular weight of 565.73 g/mol. Its IUPAC name is 5-(5-thiophen-2-ylthiophen-2-yl)-3-[6-[5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazin-3-yl]-2-pyridinyl]-1,2,4-triazine.

Molecular Properties

Compound Name5-(5-thiophen-2-ylthiophen-2-yl)-3-[6-[5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazin-3-yl]-2-pyridinyl]-1,2,4-triazine
PubChem CID15426249
Molecular FormulaC27H15N7S4
Molecular Weight565.73 g/mol
Exact Mass565.03
IUPAC Name5-(5-thiophen-2-ylthiophen-2-yl)-3-[6-[5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazin-3-yl]-2-pyridinyl]-1,2,4-triazine
SMILESc1cc(-c2nncc(-c3ccc(-c4cccs4)s3)n2)nc(-c2nncc(-c3ccc(-c4cccs4)s3)n2)c1
InChIInChI=1S/C27H15N7S4/c1-4-16(26-31-18(14-28-33-26)20-8-10-24(37-20)22-6-2-12-35-22)30-17(5-1)27-32-19(15-29-34-27)21-9-11-25(38-21)23-7-3-13-36-23/h1-15H
InChIKeyWOSGEWOJKOLZBM-UHFFFAOYSA-N
XLogP7.70
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500565.73
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-(5-thiophen-2-ylthiophen-2-yl)-3-[6-[5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazin-3-yl]-2-pyridinyl]-1,2,4-triazine with MolForge

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Related Compounds

3-((Pyridin-2-ylmethyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16194810
US9096589, 5-Methyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250193
8-(4-Methyl-3-pyridinyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine
CID 54589205
3-(3-Pyridyl)-6-(2-thienyl) imidazo[1,2-b] pyridazine
CID 90480338
3-(4-Pyridyl)-3-(2-thienyl)imidazo [1,2-b]pyridazine
CID 126672901
3,6-Bis(2-thienyl)imidazo [1,2-b]pyridazine
CID 126672854
N-(2-pyridin-2-ylethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine
CID 126475781
2-(((6-(Thiophen-2-yl)pyridazin-3-yl)thio)methyl)imidazo[1,2-a]pyridine
CID 26433850
3,6-Dithiophen-2-yl-1,2,4-triazine
CID 12351659
3-Pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazine
CID 86042939
(3,5-Dithiophen-2-ylpyrazin-2-yl)-pyridin-1-ium-1-ylazanide
CID 134997325
3-(Pyridin-2-yl)-6-(3-thienyl)-1,2,4-triazine
CID 166611151

Frequently Asked Questions

What is the IUPAC name of 5-(5-thiophen-2-ylthiophen-2-yl)-3-[6-[5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazin-3-yl]-2-pyridinyl]-1,2,4-triazine?
The IUPAC name of 5-(5-thiophen-2-ylthiophen-2-yl)-3-[6-[5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazin-3-yl]-2-pyridinyl]-1,2,4-triazine (CID 15426249) is 5-(5-thiophen-2-ylthiophen-2-yl)-3-[6-[5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazin-3-yl]-2-pyridinyl]-1,2,4-triazine.
What is the SMILES notation for 5-(5-thiophen-2-ylthiophen-2-yl)-3-[6-[5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazin-3-yl]-2-pyridinyl]-1,2,4-triazine?
The canonical SMILES for 5-(5-thiophen-2-ylthiophen-2-yl)-3-[6-[5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazin-3-yl]-2-pyridinyl]-1,2,4-triazine is c1cc(-c2nncc(-c3ccc(-c4cccs4)s3)n2)nc(-c2nncc(-c3ccc(-c4cccs4)s3)n2)c1.
What is the InChIKey of 5-(5-thiophen-2-ylthiophen-2-yl)-3-[6-[5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazin-3-yl]-2-pyridinyl]-1,2,4-triazine?
The InChIKey is WOSGEWOJKOLZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15N7S4/c1-4-16(26-31-18(14-28-33-26)20-8-10-24(37-20)22-6-2-12-35-22)30-17(5-1)27-32-19(15-29-34-27)21-9-11-25(38-21)23-7-3-13-36-23/h1-15H.
What are the key properties of 5-(5-thiophen-2-ylthiophen-2-yl)-3-[6-[5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazin-3-yl]-2-pyridinyl]-1,2,4-triazine?
5-(5-thiophen-2-ylthiophen-2-yl)-3-[6-[5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazin-3-yl]-2-pyridinyl]-1,2,4-triazine has a molecular weight of 565.73 g/mol, XLogP of 7.70, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-thiophen-2-ylthiophen-2-yl)-3-[6-[5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazin-3-yl]-2-pyridinyl]-1,2,4-triazine is sourced from PubChem (CID 15426249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).