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

C13H12N4OS — CID 3244602

IUPAC3-(4-methoxyphenyl)-6-methylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(-c2nnc3ccc(SC)nn23)cc1
InChIInChI=1S/C13H12N4OS/c1-18-10-5-3-9(4-6-10)13-15-14-11-7-8-12(19-2)16-17(11)13/h3-8H,1-2H3
InChIKeyMTPYTMKSEMRQCC-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.52
Rot. Bonds3

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

3-(4-methoxyphenyl)-6-methylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 3244602) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-6-methylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-6-methylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID3244602
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name3-(4-methoxyphenyl)-6-methylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(-c2nnc3ccc(SC)nn23)cc1
InChIInChI=1S/C13H12N4OS/c1-18-10-5-3-9(4-6-10)13-15-14-11-7-8-12(19-2)16-17(11)13/h3-8H,1-2H3
InChIKeyMTPYTMKSEMRQCC-UHFFFAOYSA-N
XLogP2.52
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(3-Methoxyphenyl)-2-methyl-5-(methylthio)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2819135
2-(4-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 754731
2-{[(3-Fluoro-4-methoxyphenyl)methyl]sulfanyl}-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2508326
2-((6-(4-Methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)acetamide
CID 7217445
5-(4-Methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 738352
6-Methoxy-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 754096
6-(2,5-Dimethoxyphenyl)sulfanyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 2727431
6-Methoxy-3-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazine
CID 2775307
3-(4-Ethoxyphenyl)-6-(methylthio)-[1,2,4]triazolo[4,3-b]pyridazine
CID 3241878
N-cyclopropyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10401467
6-(4-(Trifluoromethoxy)phenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 50905973
2-(4-Methoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
CID 753358

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-6-methylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(4-methoxyphenyl)-6-methylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 3244602) is 3-(4-methoxyphenyl)-6-methylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(4-methoxyphenyl)-6-methylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(4-methoxyphenyl)-6-methylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccc(-c2nnc3ccc(SC)nn23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-6-methylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is MTPYTMKSEMRQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-18-10-5-3-9(4-6-10)13-15-14-11-7-8-12(19-2)16-17(11)13/h3-8H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-6-methylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine?
3-(4-methoxyphenyl)-6-methylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 272.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-6-methylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 3244602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).