2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide

C15H15N5O3S — CID 3239045

IUPAC2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
SMILESCOc1ccc(-c2nnc3ccc(SCC(N)=O)nn23)cc1OC
InChIInChI=1S/C15H15N5O3S/c1-22-10-4-3-9(7-11(10)23-2)15-18-17-13-5-6-14(19-20(13)15)24-8-12(16)21/h3-7H,8H2,1-2H3,(H2,16,21)
InChIKeyKDPDDKZGQVSUKS-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.39
Rot. Bonds6

About 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide

2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide (PubChem CID 3239045) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
PubChem CID3239045
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
SMILESCOc1ccc(-c2nnc3ccc(SCC(N)=O)nn23)cc1OC
InChIInChI=1S/C15H15N5O3S/c1-22-10-4-3-9(7-11(10)23-2)15-18-17-13-5-6-14(19-20(13)15)24-8-12(16)21/h3-7H,8H2,1-2H3,(H2,16,21)
InChIKeyKDPDDKZGQVSUKS-UHFFFAOYSA-N
XLogP1.39
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide with MolForge

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Related Compounds

SecinH3
CID 1029232
2-((6-(4-Methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)acetamide
CID 7217445
3-(4-Ethoxyphenyl)-6-(methylthio)-[1,2,4]triazolo[4,3-b]pyridazine
CID 3241878
6-(4-Methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 134139965
6-(3,4-Dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 137348600
2-{[3-(4-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 3239979
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
1-(Azepan-1-yl)-2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)ethanone
CID 5310469
N-(2-methoxyphenyl)-2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
CID 7118134
6-Benzylsulfanyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 7118230

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide (CID 3239045) is 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide is COc1ccc(-c2nnc3ccc(SCC(N)=O)nn23)cc1OC.
What is the InChIKey of 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide?
The InChIKey is KDPDDKZGQVSUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-22-10-4-3-9(7-11(10)23-2)15-18-17-13-5-6-14(19-20(13)15)24-8-12(16)21/h3-7H,8H2,1-2H3,(H2,16,21).
What are the key properties of 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide?
2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide has a molecular weight of 345.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide is sourced from PubChem (CID 3239045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).