5-phenyl-4-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)thieno[2,3-d]pyrimidine

C16H9N7S2 — CID 17452059

IUPAC5-phenyl-4-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)thieno[2,3-d]pyrimidine
SMILESc1ccc(-c2csc3ncnc(Sc4ccc5nnnn5n4)c23)cc1
InChIInChI=1S/C16H9N7S2/c1-2-4-10(5-3-1)11-8-24-15-14(11)16(18-9-17-15)25-13-7-6-12-19-21-22-23(12)20-13/h1-9H
InChIKeyJYAJAWAECOQFNB-UHFFFAOYSA-N
MW363.43 g/mol
LogP3.34
Rot. Bonds3

About 5-phenyl-4-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)thieno[2,3-d]pyrimidine

5-phenyl-4-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)thieno[2,3-d]pyrimidine (PubChem CID 17452059) has the molecular formula C16H9N7S2 and a molecular weight of 363.43 g/mol. Its IUPAC name is 5-phenyl-4-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-phenyl-4-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)thieno[2,3-d]pyrimidine
PubChem CID17452059
Molecular FormulaC16H9N7S2
Molecular Weight363.43 g/mol
Exact Mass363.04
IUPAC Name5-phenyl-4-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)thieno[2,3-d]pyrimidine
SMILESc1ccc(-c2csc3ncnc(Sc4ccc5nnnn5n4)c23)cc1
InChIInChI=1S/C16H9N7S2/c1-2-4-10(5-3-1)11-8-24-15-14(11)16(18-9-17-15)25-13-7-6-12-19-21-22-23(12)20-13/h1-9H
InChIKeyJYAJAWAECOQFNB-UHFFFAOYSA-N
XLogP3.34
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 5-phenyl-4-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)thieno[2,3-d]pyrimidine (CID 17452059) is 5-phenyl-4-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-phenyl-4-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-phenyl-4-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)thieno[2,3-d]pyrimidine is c1ccc(-c2csc3ncnc(Sc4ccc5nnnn5n4)c23)cc1.
What is the InChIKey of 5-phenyl-4-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)thieno[2,3-d]pyrimidine?
The InChIKey is JYAJAWAECOQFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N7S2/c1-2-4-10(5-3-1)11-8-24-15-14(11)16(18-9-17-15)25-13-7-6-12-19-21-22-23(12)20-13/h1-9H.
What are the key properties of 5-phenyl-4-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)thieno[2,3-d]pyrimidine?
5-phenyl-4-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)thieno[2,3-d]pyrimidine has a molecular weight of 363.43 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 17452059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).