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

C18H18N6O2S — CID 118711395

IUPAC6-(2,5-dimethoxyphenyl)sulfanyl-3-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(OC)c(Sc2ccc3nnc(-c4cn(C)nc4C)n3n2)c1
InChIInChI=1S/C18H18N6O2S/c1-11-13(10-23(2)21-11)18-20-19-16-7-8-17(22-24(16)18)27-15-9-12(25-3)5-6-14(15)26-4/h5-10H,1-4H3
InChIKeyQLCNPAADINOYLN-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.00
Rot. Bonds5

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

6-(2,5-dimethoxyphenyl)sulfanyl-3-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 118711395) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)sulfanyl-3-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID118711395
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC Name6-(2,5-dimethoxyphenyl)sulfanyl-3-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(OC)c(Sc2ccc3nnc(-c4cn(C)nc4C)n3n2)c1
InChIInChI=1S/C18H18N6O2S/c1-11-13(10-23(2)21-11)18-20-19-16-7-8-17(22-24(16)18)27-15-9-12(25-3)5-6-14(15)26-4/h5-10H,1-4H3
InChIKeyQLCNPAADINOYLN-UHFFFAOYSA-N
XLogP3.00
TPSA79.36 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

6-[(2,5-Dimethoxyphenyl)sulfanyl]-3-(1-Methyl-1h-Pyrazol-4-Yl)[1,2,4]triazolo[4,3-B]pyridazine
CID 77068229
6-(2,5-Dimethoxyphenyl)sulfanyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 2727431
5-[6-(3-Methoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole
CID 71578930
6-(2,5-Dimethoxyphenyl)sulfanyl-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711382
6-(2,5-Dimethoxyphenyl)sulfanyl-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711383
6-(2,5-Dimethoxyphenyl)sulfanyl-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711384
6-(2,5-Dimethoxyphenyl)sulfanyl-3-pyrazin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711385
6-(2,5-Dimethoxyphenyl)sulfanyl-3-(5-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711386
3-[6-(2,5-Dimethoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,2-thiazole
CID 118711392
5-[6-(2,5-Dimethoxyphenyl)sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole
CID 118711393
6-(2,5-Dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 118711394
4-Methoxy-3-[[3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]benzonitrile
CID 118711398

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 118711395) is 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccc(OC)c(Sc2ccc3nnc(-c4cn(C)nc4C)n3n2)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is QLCNPAADINOYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c1-11-13(10-23(2)21-11)18-20-19-16-7-8-17(22-24(16)18)27-15-9-12(25-3)5-6-14(15)26-4/h5-10H,1-4H3.
What are the key properties of 6-(2,5-dimethoxyphenyl)sulfanyl-3-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(2,5-dimethoxyphenyl)sulfanyl-3-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 382.45 g/mol, XLogP of 3.00, 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-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 118711395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).