3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazine

C12H8N4S — CID 86042939

IUPAC3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazine
SMILESc1ccc(-c2ncc(-c3cccs3)nn2)nc1
InChIInChI=1S/C12H8N4S/c1-2-6-13-9(4-1)12-14-8-10(15-16-12)11-5-3-7-17-11/h1-8H
InChIKeyMZLSUYBMQGBBHU-UHFFFAOYSA-N
MW240.29 g/mol
LogP2.66
Rot. Bonds2

About 3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazine

3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazine (PubChem CID 86042939) has the molecular formula C12H8N4S and a molecular weight of 240.29 g/mol. Its IUPAC name is 3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazine
PubChem CID86042939
Molecular FormulaC12H8N4S
Molecular Weight240.29 g/mol
Exact Mass240.05
IUPAC Name3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazine
SMILESc1ccc(-c2ncc(-c3cccs3)nn2)nc1
InChIInChI=1S/C12H8N4S/c1-2-6-13-9(4-1)12-14-8-10(15-16-12)11-5-3-7-17-11/h1-8H
InChIKeyMZLSUYBMQGBBHU-UHFFFAOYSA-N
XLogP2.66
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
3-(4-Fluoro-benzyl)-6-th iophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 11771327
5-Methylsulfonyl-2-[5-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
CID 12991494
3-((Pyridin-2-ylmethyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16194810
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
2-[4-Methyl-5-(pyridin-2-ylmethylsulfanyl)-4H-[1,2,4]triazol-3-yl]-pyrazine
CID 646713
2-[(4-Phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
CID 2539904

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazine?
The IUPAC name of 3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazine (CID 86042939) is 3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazine.
What is the SMILES notation for 3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazine?
The canonical SMILES for 3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazine is c1ccc(-c2ncc(-c3cccs3)nn2)nc1.
What is the InChIKey of 3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazine?
The InChIKey is MZLSUYBMQGBBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4S/c1-2-6-13-9(4-1)12-14-8-10(15-16-12)11-5-3-7-17-11/h1-8H.
What are the key properties of 3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazine?
3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazine has a molecular weight of 240.29 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-6-thiophen-2-yl-1,2,4-triazine is sourced from PubChem (CID 86042939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).