3-pyridin-2-yl-5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazine

C16H10N4S2 — CID 15426241

IUPAC3-pyridin-2-yl-5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazine
SMILESc1ccc(-c2nncc(-c3ccc(-c4cccs4)s3)n2)nc1
InChIInChI=1S/C16H10N4S2/c1-2-8-17-11(4-1)16-19-12(10-18-20-16)13-6-7-15(22-13)14-5-3-9-21-14/h1-10H
InChIKeyZWBFSRKEPAYBHH-UHFFFAOYSA-N
MW322.42 g/mol
LogP4.39
Rot. Bonds3

About 3-pyridin-2-yl-5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazine

3-pyridin-2-yl-5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazine (PubChem CID 15426241) has the molecular formula C16H10N4S2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 3-pyridin-2-yl-5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazine.

Molecular Properties

Compound Name3-pyridin-2-yl-5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazine
PubChem CID15426241
Molecular FormulaC16H10N4S2
Molecular Weight322.42 g/mol
Exact Mass322.03
IUPAC Name3-pyridin-2-yl-5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazine
SMILESc1ccc(-c2nncc(-c3ccc(-c4cccs4)s3)n2)nc1
InChIInChI=1S/C16H10N4S2/c1-2-8-17-11(4-1)16-19-12(10-18-20-16)13-6-7-15(22-13)14-5-3-9-21-14/h1-10H
InChIKeyZWBFSRKEPAYBHH-UHFFFAOYSA-N
XLogP4.39
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,8-Dimethyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53236526
7-(Thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 900945
3-((Pyridin-3-ylmethyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16194785
2,3-Dimethyl-6-thiophen-2-ylimidazo[1,2-b][1,2,4]triazine
CID 615484
1-(4-fluoro-benzyl)-6-thiophen-2-yl-1H-[1,2,3]triazolo[4,5-b]pyrazine
CID 11738454
3-(4-Fluoro-benzyl)-6-th iophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 11771327
3-((Pyridin-2-ylmethyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16194810
2-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[3,2-c]pyridine
CID 53262575
3-(6-Quinolylmethyl)-6-(2-thienyl)[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57405873
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250350
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53250503
5-Methyl-2-[2-(4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67258155

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazine?
The IUPAC name of 3-pyridin-2-yl-5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazine (CID 15426241) is 3-pyridin-2-yl-5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazine.
What is the SMILES notation for 3-pyridin-2-yl-5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazine?
The canonical SMILES for 3-pyridin-2-yl-5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazine is c1ccc(-c2nncc(-c3ccc(-c4cccs4)s3)n2)nc1.
What is the InChIKey of 3-pyridin-2-yl-5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazine?
The InChIKey is ZWBFSRKEPAYBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4S2/c1-2-8-17-11(4-1)16-19-12(10-18-20-16)13-6-7-15(22-13)14-5-3-9-21-14/h1-10H.
What are the key properties of 3-pyridin-2-yl-5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazine?
3-pyridin-2-yl-5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazine has a molecular weight of 322.42 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-5-(5-thiophen-2-ylthiophen-2-yl)-1,2,4-triazine is sourced from PubChem (CID 15426241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).