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

C12H7N5S2 — CID 9110636

IUPAC4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine
SMILESc1ccn2c(Sc3ncnc4sccc34)nnc2c1
InChIInChI=1S/C12H7N5S2/c1-2-5-17-9(3-1)15-16-12(17)19-11-8-4-6-18-10(8)13-7-14-11/h1-7H
InChIKeyYIPSLXATRNOJHZ-UHFFFAOYSA-N
MW285.36 g/mol
LogP2.89
Rot. Bonds2

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

4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine (PubChem CID 9110636) has the molecular formula C12H7N5S2 and a molecular weight of 285.36 g/mol. Its IUPAC name is 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine
PubChem CID9110636
Molecular FormulaC12H7N5S2
Molecular Weight285.36 g/mol
Exact Mass285.01
IUPAC Name4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine
SMILESc1ccn2c(Sc3ncnc4sccc34)nnc2c1
InChIInChI=1S/C12H7N5S2/c1-2-5-17-9(3-1)15-16-12(17)19-11-8-4-6-18-10(8)13-7-14-11/h1-7H
InChIKeyYIPSLXATRNOJHZ-UHFFFAOYSA-N
XLogP2.89
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine (CID 9110636) is 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine is c1ccn2c(Sc3ncnc4sccc34)nnc2c1.
What is the InChIKey of 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine?
The InChIKey is YIPSLXATRNOJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N5S2/c1-2-5-17-9(3-1)15-16-12(17)19-11-8-4-6-18-10(8)13-7-14-11/h1-7H.
What are the key properties of 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine?
4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine has a molecular weight of 285.36 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 9110636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).