3-thiophen-2-yl-6-[5-(6-thiophen-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)thiophen-2-yl]-1,2,4,5-tetrazine

C16H10N8S3 — CID 177395223

IUPAC3-thiophen-2-yl-6-[5-(6-thiophen-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)thiophen-2-yl]-1,2,4,5-tetrazine
SMILESc1csc(C2=NNC(c3ccc(-c4nnc(-c5cccs5)nn4)s3)=NN2)c1
InChIInChI=1S/C16H10N8S3/c1-3-9(25-7-1)13-17-21-15(22-18-13)11-5-6-12(27-11)16-23-19-14(20-24-16)10-4-2-8-26-10/h1-8H,(H,17,18)(H,21,22)
InChIKeyCXVRGOKDGKYGSX-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.00
Rot. Bonds4

About 3-thiophen-2-yl-6-[5-(6-thiophen-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)thiophen-2-yl]-1,2,4,5-tetrazine

3-thiophen-2-yl-6-[5-(6-thiophen-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)thiophen-2-yl]-1,2,4,5-tetrazine (PubChem CID 177395223) has the molecular formula C16H10N8S3 and a molecular weight of 410.51 g/mol. Its IUPAC name is 3-thiophen-2-yl-6-[5-(6-thiophen-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)thiophen-2-yl]-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-thiophen-2-yl-6-[5-(6-thiophen-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)thiophen-2-yl]-1,2,4,5-tetrazine
PubChem CID177395223
Molecular FormulaC16H10N8S3
Molecular Weight410.51 g/mol
Exact Mass410.02
IUPAC Name3-thiophen-2-yl-6-[5-(6-thiophen-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)thiophen-2-yl]-1,2,4,5-tetrazine
SMILESc1csc(C2=NNC(c3ccc(-c4nnc(-c5cccs5)nn4)s3)=NN2)c1
InChIInChI=1S/C16H10N8S3/c1-3-9(25-7-1)13-17-21-15(22-18-13)11-5-6-12(27-11)16-23-19-14(20-24-16)10-4-2-8-26-10/h1-8H,(H,17,18)(H,21,22)
InChIKeyCXVRGOKDGKYGSX-UHFFFAOYSA-N
XLogP3.00
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 3-thiophen-2-yl-6-[5-(6-thiophen-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)thiophen-2-yl]-1,2,4,5-tetrazine with MolForge

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Related Compounds

2,5-dithiophen-2-ylthiophene;ethane
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2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine
CID 102326398
iridium;methanol;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine
CID 153468258
2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine
CID 59488709
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-thiophen-2-ylthiophene;triazine
CID 175444863
3-(5-thiophen-2-ylthiophen-2-yl)-1,2-oxazole
CID 2739851
triethoxy-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]silane
CID 59664325
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
2-chloro-5-thiophen-2-yl-1,3,4-thiadiazole
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2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-6-[5-(6-thiophen-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)thiophen-2-yl]-1,2,4,5-tetrazine?
The IUPAC name of 3-thiophen-2-yl-6-[5-(6-thiophen-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)thiophen-2-yl]-1,2,4,5-tetrazine (CID 177395223) is 3-thiophen-2-yl-6-[5-(6-thiophen-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)thiophen-2-yl]-1,2,4,5-tetrazine.
What is the SMILES notation for 3-thiophen-2-yl-6-[5-(6-thiophen-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)thiophen-2-yl]-1,2,4,5-tetrazine?
The canonical SMILES for 3-thiophen-2-yl-6-[5-(6-thiophen-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)thiophen-2-yl]-1,2,4,5-tetrazine is c1csc(C2=NNC(c3ccc(-c4nnc(-c5cccs5)nn4)s3)=NN2)c1.
What is the InChIKey of 3-thiophen-2-yl-6-[5-(6-thiophen-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)thiophen-2-yl]-1,2,4,5-tetrazine?
The InChIKey is CXVRGOKDGKYGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N8S3/c1-3-9(25-7-1)13-17-21-15(22-18-13)11-5-6-12(27-11)16-23-19-14(20-24-16)10-4-2-8-26-10/h1-8H,(H,17,18)(H,21,22).
What are the key properties of 3-thiophen-2-yl-6-[5-(6-thiophen-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)thiophen-2-yl]-1,2,4,5-tetrazine?
3-thiophen-2-yl-6-[5-(6-thiophen-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)thiophen-2-yl]-1,2,4,5-tetrazine has a molecular weight of 410.51 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-6-[5-(6-thiophen-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)thiophen-2-yl]-1,2,4,5-tetrazine is sourced from PubChem (CID 177395223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).