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

C11H9N5OS2 — CID 6852074

IUPAC2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1ccc2nnc(-c3cccs3)n2n1
InChIInChI=1S/C11H9N5OS2/c12-8(17)6-19-10-4-3-9-13-14-11(16(9)15-10)7-2-1-5-18-7/h1-5H,6H2,(H2,12,17)
InChIKeyCXUDTMQLHPLBBV-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.43
Rot. Bonds4

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

2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (PubChem CID 6852074) has the molecular formula C11H9N5OS2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
PubChem CID6852074
Molecular FormulaC11H9N5OS2
Molecular Weight291.36 g/mol
Exact Mass291.02
IUPAC Name2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1ccc2nnc(-c3cccs3)n2n1
InChIInChI=1S/C11H9N5OS2/c12-8(17)6-19-10-4-3-9-13-14-11(16(9)15-10)7-2-1-5-18-7/h1-5H,6H2,(H2,12,17)
InChIKeyCXUDTMQLHPLBBV-UHFFFAOYSA-N
XLogP1.43
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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CID 7531836
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CID 71579010
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Frequently Asked Questions

What is the IUPAC name of 2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (CID 6852074) is 2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is NC(=O)CSc1ccc2nnc(-c3cccs3)n2n1.
What is the InChIKey of 2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The InChIKey is CXUDTMQLHPLBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS2/c12-8(17)6-19-10-4-3-9-13-14-11(16(9)15-10)7-2-1-5-18-7/h1-5H,6H2,(H2,12,17).
What are the key properties of 2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide has a molecular weight of 291.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 6852074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).