5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine

C14H11N5S2 — CID 3613241

IUPAC5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(Sc3nnc4ccccn34)c2c1C
InChIInChI=1S/C14H11N5S2/c1-8-9(2)20-12-11(8)13(16-7-15-12)21-14-18-17-10-5-3-4-6-19(10)14/h3-7H,1-2H3
InChIKeyMYXWQXWQWJSXOU-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.50
Rot. Bonds2

About 5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine

5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine (PubChem CID 3613241) has the molecular formula C14H11N5S2 and a molecular weight of 313.41 g/mol. Its IUPAC name is 5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine
PubChem CID3613241
Molecular FormulaC14H11N5S2
Molecular Weight313.41 g/mol
Exact Mass313.05
IUPAC Name5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(Sc3nnc4ccccn34)c2c1C
InChIInChI=1S/C14H11N5S2/c1-8-9(2)20-12-11(8)13(16-7-15-12)21-14-18-17-10-5-3-4-6-19(10)14/h3-7H,1-2H3
InChIKeyMYXWQXWQWJSXOU-UHFFFAOYSA-N
XLogP3.50
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine (CID 3613241) is 5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine is Cc1sc2ncnc(Sc3nnc4ccccn34)c2c1C.
What is the InChIKey of 5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine?
The InChIKey is MYXWQXWQWJSXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S2/c1-8-9(2)20-12-11(8)13(16-7-15-12)21-14-18-17-10-5-3-4-6-19(10)14/h3-7H,1-2H3.
What are the key properties of 5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine?
5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine has a molecular weight of 313.41 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 3613241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).