6-(pyridazin-3-ylmethylsulfanyl)-7H-purine

C10H8N6S — CID 171816697

IUPAC6-(pyridazin-3-ylmethylsulfanyl)-7H-purine
SMILESc1cnnc(CSc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C10H8N6S/c1-2-7(16-15-3-1)4-17-10-8-9(12-5-11-8)13-6-14-10/h1-3,5-6H,4H2,(H,11,12,13,14)
InChIKeyPIDYBGOWNNDWKE-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.44
Rot. Bonds3

About 6-(pyridazin-3-ylmethylsulfanyl)-7H-purine

6-(pyridazin-3-ylmethylsulfanyl)-7H-purine (PubChem CID 171816697) has the molecular formula C10H8N6S and a molecular weight of 244.28 g/mol. Its IUPAC name is 6-(pyridazin-3-ylmethylsulfanyl)-7H-purine.

Molecular Properties

Compound Name6-(pyridazin-3-ylmethylsulfanyl)-7H-purine
PubChem CID171816697
Molecular FormulaC10H8N6S
Molecular Weight244.28 g/mol
Exact Mass244.05
IUPAC Name6-(pyridazin-3-ylmethylsulfanyl)-7H-purine
SMILESc1cnnc(CSc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C10H8N6S/c1-2-7(16-15-3-1)4-17-10-8-9(12-5-11-8)13-6-14-10/h1-3,5-6H,4H2,(H,11,12,13,14)
InChIKeyPIDYBGOWNNDWKE-UHFFFAOYSA-N
XLogP1.44
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(pyridazin-3-ylmethylsulfanyl)-7H-purine?
The IUPAC name of 6-(pyridazin-3-ylmethylsulfanyl)-7H-purine (CID 171816697) is 6-(pyridazin-3-ylmethylsulfanyl)-7H-purine.
What is the SMILES notation for 6-(pyridazin-3-ylmethylsulfanyl)-7H-purine?
The canonical SMILES for 6-(pyridazin-3-ylmethylsulfanyl)-7H-purine is c1cnnc(CSc2ncnc3nc[nH]c23)c1.
What is the InChIKey of 6-(pyridazin-3-ylmethylsulfanyl)-7H-purine?
The InChIKey is PIDYBGOWNNDWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6S/c1-2-7(16-15-3-1)4-17-10-8-9(12-5-11-8)13-6-14-10/h1-3,5-6H,4H2,(H,11,12,13,14).
What are the key properties of 6-(pyridazin-3-ylmethylsulfanyl)-7H-purine?
6-(pyridazin-3-ylmethylsulfanyl)-7H-purine has a molecular weight of 244.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridazin-3-ylmethylsulfanyl)-7H-purine is sourced from PubChem (CID 171816697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).