6-(2,5-dimethoxyphenyl)sulfanyl-3-pyrazin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

C17H14N6O2S — CID 118711385

IUPAC6-(2,5-dimethoxyphenyl)sulfanyl-3-pyrazin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(OC)c(Sc2ccc3nnc(-c4cnccn4)n3n2)c1
InChIInChI=1S/C17H14N6O2S/c1-24-11-3-4-13(25-2)14(9-11)26-16-6-5-15-20-21-17(23(15)22-16)12-10-18-7-8-19-12/h3-10H,1-2H3
InChIKeyCSXIZIXESHLUAV-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.75
Rot. Bonds5

About 6-(2,5-dimethoxyphenyl)sulfanyl-3-pyrazin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

6-(2,5-dimethoxyphenyl)sulfanyl-3-pyrazin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 118711385) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)sulfanyl-3-pyrazin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)sulfanyl-3-pyrazin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID118711385
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC Name6-(2,5-dimethoxyphenyl)sulfanyl-3-pyrazin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(OC)c(Sc2ccc3nnc(-c4cnccn4)n3n2)c1
InChIInChI=1S/C17H14N6O2S/c1-24-11-3-4-13(25-2)14(9-11)26-16-6-5-15-20-21-17(23(15)22-16)12-10-18-7-8-19-12/h3-10H,1-2H3
InChIKeyCSXIZIXESHLUAV-UHFFFAOYSA-N
XLogP2.75
TPSA87.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)sulfanyl-3-pyrazin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(2,5-dimethoxyphenyl)sulfanyl-3-pyrazin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 118711385) is 6-(2,5-dimethoxyphenyl)sulfanyl-3-pyrazin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)sulfanyl-3-pyrazin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)sulfanyl-3-pyrazin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccc(OC)c(Sc2ccc3nnc(-c4cnccn4)n3n2)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)sulfanyl-3-pyrazin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is CSXIZIXESHLUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c1-24-11-3-4-13(25-2)14(9-11)26-16-6-5-15-20-21-17(23(15)22-16)12-10-18-7-8-19-12/h3-10H,1-2H3.
What are the key properties of 6-(2,5-dimethoxyphenyl)sulfanyl-3-pyrazin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
6-(2,5-dimethoxyphenyl)sulfanyl-3-pyrazin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 366.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)sulfanyl-3-pyrazin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 118711385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).