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

C24H14N8S2 — CID 15440910

IUPAC5-thiophen-2-yl-3-[6-[6-(5-thiophen-2-yl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine
SMILESc1cc(-c2cccc(-c3nncc(-c4cccs4)n3)n2)nc(-c2nncc(-c3cccs3)n2)c1
InChIInChI=1S/C24H14N8S2/c1-5-15(27-17(7-1)23-29-19(13-25-31-23)21-9-3-11-33-21)16-6-2-8-18(28-16)24-30-20(14-26-32-24)22-10-4-12-34-22/h1-14H
InChIKeySXWYHSKWESHKPB-UHFFFAOYSA-N
MW478.57 g/mol
LogP5.30
Rot. Bonds5

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

5-thiophen-2-yl-3-[6-[6-(5-thiophen-2-yl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine (PubChem CID 15440910) has the molecular formula C24H14N8S2 and a molecular weight of 478.57 g/mol. Its IUPAC name is 5-thiophen-2-yl-3-[6-[6-(5-thiophen-2-yl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine.

Molecular Properties

Compound Name5-thiophen-2-yl-3-[6-[6-(5-thiophen-2-yl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine
PubChem CID15440910
Molecular FormulaC24H14N8S2
Molecular Weight478.57 g/mol
Exact Mass478.08
IUPAC Name5-thiophen-2-yl-3-[6-[6-(5-thiophen-2-yl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine
SMILESc1cc(-c2cccc(-c3nncc(-c4cccs4)n3)n2)nc(-c2nncc(-c3cccs3)n2)c1
InChIInChI=1S/C24H14N8S2/c1-5-15(27-17(7-1)23-29-19(13-25-31-23)21-9-3-11-33-21)16-6-2-8-18(28-16)24-30-20(14-26-32-24)22-10-4-12-34-22/h1-14H
InChIKeySXWYHSKWESHKPB-UHFFFAOYSA-N
XLogP5.30
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.57
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Launch Full Analysis

Related Compounds

5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-3-[6-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-1,2,4-triazin-3-yl]-2-pyridinyl]-1,2,4-triazine
CID 15426250
2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine
CID 102326398
2-[(5-thiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]acetic acid
CID 6417104
3-piperazin-1-yl-5-thiophen-2-yl-1,2,4-triazine
CID 82479940
2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine
CID 59488709
7-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 5305166
2-tert-butyl-6-thiophen-2-ylpyridine
CID 15128602
2,3-difluoro-5,8-dithiophen-2-ylpyrazino[2,3-d]pyridazine
CID 162717711
1-(3-thiophen-2-yl-1,2,4-triazin-5-yl)butan-1-one
CID 121219732
8-fluoro-2-thiophen-2-ylquinoline
CID 142776739
3-methyl-6-thiophen-2-yl-1,2,4-triazine
CID 135139824
platinum;bis(2-thiophen-2-ylpyridine)
CID 87764255

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-3-[6-[6-(5-thiophen-2-yl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine?
The IUPAC name of 5-thiophen-2-yl-3-[6-[6-(5-thiophen-2-yl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine (CID 15440910) is 5-thiophen-2-yl-3-[6-[6-(5-thiophen-2-yl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine.
What is the SMILES notation for 5-thiophen-2-yl-3-[6-[6-(5-thiophen-2-yl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine?
The canonical SMILES for 5-thiophen-2-yl-3-[6-[6-(5-thiophen-2-yl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine is c1cc(-c2cccc(-c3nncc(-c4cccs4)n3)n2)nc(-c2nncc(-c3cccs3)n2)c1.
What is the InChIKey of 5-thiophen-2-yl-3-[6-[6-(5-thiophen-2-yl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine?
The InChIKey is SXWYHSKWESHKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N8S2/c1-5-15(27-17(7-1)23-29-19(13-25-31-23)21-9-3-11-33-21)16-6-2-8-18(28-16)24-30-20(14-26-32-24)22-10-4-12-34-22/h1-14H.
What are the key properties of 5-thiophen-2-yl-3-[6-[6-(5-thiophen-2-yl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine?
5-thiophen-2-yl-3-[6-[6-(5-thiophen-2-yl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine has a molecular weight of 478.57 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-3-[6-[6-(5-thiophen-2-yl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine is sourced from PubChem (CID 15440910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).