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

C15H15N5OS — CID 16955491

IUPAC2-[[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide
SMILESCCc1ccc(-c2ccc3nnc(SCC(N)=O)n3n2)cc1
InChIInChI=1S/C15H15N5OS/c1-2-10-3-5-11(6-4-10)12-7-8-14-17-18-15(20(14)19-12)22-9-13(16)21/h3-8H,2,9H2,1H3,(H2,16,21)
InChIKeyNVEAOJWGLRDRNO-UHFFFAOYSA-N
MW313.39 g/mol
LogP1.93
Rot. Bonds5

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

2-[[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide (PubChem CID 16955491) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 2-[[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide
PubChem CID16955491
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name2-[[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide
SMILESCCc1ccc(-c2ccc3nnc(SCC(N)=O)n3n2)cc1
InChIInChI=1S/C15H15N5OS/c1-2-10-3-5-11(6-4-10)12-7-8-14-17-18-15(20(14)19-12)22-9-13(16)21/h3-8H,2,9H2,1H3,(H2,16,21)
InChIKeyNVEAOJWGLRDRNO-UHFFFAOYSA-N
XLogP1.93
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide (CID 16955491) is 2-[[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide is CCc1ccc(-c2ccc3nnc(SCC(N)=O)n3n2)cc1.
What is the InChIKey of 2-[[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide?
The InChIKey is NVEAOJWGLRDRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-2-10-3-5-11(6-4-10)12-7-8-14-17-18-15(20(14)19-12)22-9-13(16)21/h3-8H,2,9H2,1H3,(H2,16,21).
What are the key properties of 2-[[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide?
2-[[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide has a molecular weight of 313.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 16955491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).