2-thiophen-2-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide

C17H13N5OS — CID 7217784

IUPAC2-thiophen-2-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESO=C(Cc1cccs1)Nc1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C17H13N5OS/c23-17(10-14-5-2-8-24-14)19-13-4-1-3-12(9-13)15-6-7-16-20-18-11-22(16)21-15/h1-9,11H,10H2,(H,19,23)
InChIKeyOFJBFLUZKDJIHJ-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.03
Rot. Bonds4

About 2-thiophen-2-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide

2-thiophen-2-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (PubChem CID 7217784) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-thiophen-2-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
PubChem CID7217784
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC Name2-thiophen-2-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESO=C(Cc1cccs1)Nc1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C17H13N5OS/c23-17(10-14-5-2-8-24-14)19-13-4-1-3-12(9-13)15-6-7-16-20-18-11-22(16)21-15/h1-9,11H,10H2,(H,19,23)
InChIKeyOFJBFLUZKDJIHJ-UHFFFAOYSA-N
XLogP3.03
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The IUPAC name of 2-thiophen-2-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (CID 7217784) is 2-thiophen-2-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.
What is the SMILES notation for 2-thiophen-2-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The canonical SMILES for 2-thiophen-2-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is O=C(Cc1cccs1)Nc1cccc(-c2ccc3nncn3n2)c1.
What is the InChIKey of 2-thiophen-2-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The InChIKey is OFJBFLUZKDJIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c23-17(10-14-5-2-8-24-14)19-13-4-1-3-12(9-13)15-6-7-16-20-18-11-22(16)21-15/h1-9,11H,10H2,(H,19,23).
What are the key properties of 2-thiophen-2-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
2-thiophen-2-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide has a molecular weight of 335.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is sourced from PubChem (CID 7217784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).