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

C12H7N7S2 — CID 71578933

IUPAC5-(6-pyrimidin-2-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole
SMILESc1cnc(Sc2ccc3nnc(-c4cncs4)n3n2)nc1
InChIInChI=1S/C12H7N7S2/c1-4-14-12(15-5-1)21-10-3-2-9-16-17-11(19(9)18-10)8-6-13-7-20-8/h1-7H
InChIKeyFGWYGOBICNDUEI-UHFFFAOYSA-N
MW313.37 g/mol
LogP2.19
Rot. Bonds3

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

5-(6-pyrimidin-2-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole (PubChem CID 71578933) has the molecular formula C12H7N7S2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 5-(6-pyrimidin-2-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(6-pyrimidin-2-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole
PubChem CID71578933
Molecular FormulaC12H7N7S2
Molecular Weight313.37 g/mol
Exact Mass313.02
IUPAC Name5-(6-pyrimidin-2-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole
SMILESc1cnc(Sc2ccc3nnc(-c4cncs4)n3n2)nc1
InChIInChI=1S/C12H7N7S2/c1-4-14-12(15-5-1)21-10-3-2-9-16-17-11(19(9)18-10)8-6-13-7-20-8/h1-7H
InChIKeyFGWYGOBICNDUEI-UHFFFAOYSA-N
XLogP2.19
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-(6-pyrimidin-2-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole with MolForge

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Related Compounds

6-(Pyrimidin-2-ylthio)tetrazolo[1,5-b]pyridazine
CID 1508837
5-[6-[4-(Trifluoromethyl)pyrimidin-2-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole
CID 71579008
5-(6-Phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole
CID 71579009
2-Methyl-5-[[3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 53568125
2-[4-(Tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]-1,3-thiazole
CID 24590333
6-[4-(1,3-Thiazol-2-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67341534
6-Pyrimidin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 7354172
2-[4-[3-(Trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]-1,3-thiazole
CID 17417553
2-[[3-(Trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3-thiazole
CID 47370961
N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 49432078
6-([1,2,4]Triazolo[1,5-a]pyrimidin-2-ylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 51322662
3-(Difluoromethyl)-6-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 75471175

Frequently Asked Questions

What is the IUPAC name of 5-(6-pyrimidin-2-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole?
The IUPAC name of 5-(6-pyrimidin-2-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole (CID 71578933) is 5-(6-pyrimidin-2-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole.
What is the SMILES notation for 5-(6-pyrimidin-2-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole?
The canonical SMILES for 5-(6-pyrimidin-2-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole is c1cnc(Sc2ccc3nnc(-c4cncs4)n3n2)nc1.
What is the InChIKey of 5-(6-pyrimidin-2-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole?
The InChIKey is FGWYGOBICNDUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N7S2/c1-4-14-12(15-5-1)21-10-3-2-9-16-17-11(19(9)18-10)8-6-13-7-20-8/h1-7H.
What are the key properties of 5-(6-pyrimidin-2-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole?
5-(6-pyrimidin-2-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole has a molecular weight of 313.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-pyrimidin-2-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole is sourced from PubChem (CID 71578933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).