6-benzylsulfanyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine

C19H16N4OS — CID 7118230

IUPAC6-benzylsulfanyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(-c2nnc3ccc(SCc4ccccc4)nn23)cc1
InChIInChI=1S/C19H16N4OS/c1-24-16-9-7-15(8-10-16)19-21-20-17-11-12-18(22-23(17)19)25-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyYQZQZWAPNRTPIQ-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.09
Rot. Bonds5

About 6-benzylsulfanyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-benzylsulfanyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 7118230) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 6-benzylsulfanyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-benzylsulfanyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID7118230
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name6-benzylsulfanyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(-c2nnc3ccc(SCc4ccccc4)nn23)cc1
InChIInChI=1S/C19H16N4OS/c1-24-16-9-7-15(8-10-16)19-21-20-17-11-12-18(22-23(17)19)25-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyYQZQZWAPNRTPIQ-UHFFFAOYSA-N
XLogP4.09
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-benzylsulfanyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-((6-(4-Methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)acetamide
CID 7217445
3-(4-Methoxyphenyl)-6-methyl[1,2,4]triazolo[3,4-a]phthalazine
CID 938212
6-(2,5-Dimethoxyphenyl)sulfanyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 2727431
3-(4-Ethoxyphenyl)-6-(methylthio)-[1,2,4]triazolo[4,3-b]pyridazine
CID 3241878
5-Butyl-2-(4-methoxy-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 17863152
6-(4-Methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 134139965
2-{[3-(3,4-Dimethoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}acetamide
CID 3239045
2-{[3-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 3239979
2-[[3-(4-Ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 3241206
3-((3-(3,4-Dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)pentane-2,4-dione
CID 3244056
3-(4-Methoxyphenyl)-6-(methylthio)-[1,2,4]triazolo[4,3-b]pyridazine
CID 3244602
2-((3-(4-Methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-morpholinoethanone
CID 5310107

Frequently Asked Questions

What is the IUPAC name of 6-benzylsulfanyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-benzylsulfanyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 7118230) is 6-benzylsulfanyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-benzylsulfanyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-benzylsulfanyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccc(-c2nnc3ccc(SCc4ccccc4)nn23)cc1.
What is the InChIKey of 6-benzylsulfanyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is YQZQZWAPNRTPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-24-16-9-7-15(8-10-16)19-21-20-17-11-12-18(22-23(17)19)25-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3.
What are the key properties of 6-benzylsulfanyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-benzylsulfanyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 348.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfanyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 7118230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).