5-(6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole

C14H9N5S2 — CID 71579009

IUPAC5-(6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole
SMILESc1ccc(Sc2ccc3nnc(-c4cncs4)n3n2)cc1
InChIInChI=1S/C14H9N5S2/c1-2-4-10(5-3-1)21-13-7-6-12-16-17-14(19(12)18-13)11-8-15-9-20-11/h1-9H
InChIKeyAHJLBCRMKRMIQJ-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.40
Rot. Bonds3

About 5-(6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole

5-(6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole (PubChem CID 71579009) has the molecular formula C14H9N5S2 and a molecular weight of 311.40 g/mol. Its IUPAC name is 5-(6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole
PubChem CID71579009
Molecular FormulaC14H9N5S2
Molecular Weight311.40 g/mol
Exact Mass311.03
IUPAC Name5-(6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole
SMILESc1ccc(Sc2ccc3nnc(-c4cncs4)n3n2)cc1
InChIInChI=1S/C14H9N5S2/c1-2-4-10(5-3-1)21-13-7-6-12-16-17-14(19(12)18-13)11-8-15-9-20-11/h1-9H
InChIKeyAHJLBCRMKRMIQJ-UHFFFAOYSA-N
XLogP3.40
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole?
The IUPAC name of 5-(6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole (CID 71579009) is 5-(6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole.
What is the SMILES notation for 5-(6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole?
The canonical SMILES for 5-(6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole is c1ccc(Sc2ccc3nnc(-c4cncs4)n3n2)cc1.
What is the InChIKey of 5-(6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole?
The InChIKey is AHJLBCRMKRMIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5S2/c1-2-4-10(5-3-1)21-13-7-6-12-16-17-14(19(12)18-13)11-8-15-9-20-11/h1-9H.
What are the key properties of 5-(6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole?
5-(6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole has a molecular weight of 311.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole is sourced from PubChem (CID 71579009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).