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

C15H15N5O2S — CID 7118259

IUPAC2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
SMILESCCOc1ccc(-c2nnc3ccc(SCC(N)=O)nn23)cc1
InChIInChI=1S/C15H15N5O2S/c1-2-22-11-5-3-10(4-6-11)15-18-17-13-7-8-14(19-20(13)15)23-9-12(16)21/h3-8H,2,9H2,1H3,(H2,16,21)
InChIKeyVYRPFXKTFBCVME-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.77
Rot. Bonds6

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

2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide (PubChem CID 7118259) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
PubChem CID7118259
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
SMILESCCOc1ccc(-c2nnc3ccc(SCC(N)=O)nn23)cc1
InChIInChI=1S/C15H15N5O2S/c1-2-22-11-5-3-10(4-6-11)15-18-17-13-7-8-14(19-20(13)15)23-9-12(16)21/h3-8H,2,9H2,1H3,(H2,16,21)
InChIKeyVYRPFXKTFBCVME-UHFFFAOYSA-N
XLogP1.77
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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CID 3244056
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CID 3244602
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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide (CID 7118259) is 2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide is CCOc1ccc(-c2nnc3ccc(SCC(N)=O)nn23)cc1.
What is the InChIKey of 2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide?
The InChIKey is VYRPFXKTFBCVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-2-22-11-5-3-10(4-6-11)15-18-17-13-7-8-14(19-20(13)15)23-9-12(16)21/h3-8H,2,9H2,1H3,(H2,16,21).
What are the key properties of 2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide?
2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide has a molecular weight of 329.39 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide is sourced from PubChem (CID 7118259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).