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

C12H11N5OS2 — CID 71579010

IUPAC2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanamide
SMILESCC(Sc1ccc2nnc(-c3cccs3)n2n1)C(N)=O
InChIInChI=1S/C12H11N5OS2/c1-7(11(13)18)20-10-5-4-9-14-15-12(17(9)16-10)8-3-2-6-19-8/h2-7H,1H3,(H2,13,18)
InChIKeyFAMVTOHABPZSQS-UHFFFAOYSA-N
MW305.39 g/mol
LogP1.82
Rot. Bonds4

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

2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanamide (PubChem CID 71579010) has the molecular formula C12H11N5OS2 and a molecular weight of 305.39 g/mol. Its IUPAC name is 2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanamide
PubChem CID71579010
Molecular FormulaC12H11N5OS2
Molecular Weight305.39 g/mol
Exact Mass305.04
IUPAC Name2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanamide
SMILESCC(Sc1ccc2nnc(-c3cccs3)n2n1)C(N)=O
InChIInChI=1S/C12H11N5OS2/c1-7(11(13)18)20-10-5-4-9-14-15-12(17(9)16-10)8-3-2-6-19-8/h2-7H,1H3,(H2,13,18)
InChIKeyFAMVTOHABPZSQS-UHFFFAOYSA-N
XLogP1.82
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-Ethylsulfanyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190319
1-Pyrrolidin-1-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone
CID 7190321
N-(thiophen-2-ylmethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2374635
methyl (2S)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanoate
CID 7190424
methyl (2R)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanoate
CID 7190426
3-Methylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7531835
3-(Ethylthio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 7531836
Methyl 2-((3-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)propanoate
CID 16798824
Methyl 2-((3-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate
CID 18561027
3-Methyl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanamide
CID 71579011
2-[1-[(3-Thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethyl]-1,3,4-oxadiazole
CID 71579087
6-{(2E)-2-[1-(thiophen-2-yl)ethylidene]hydrazinyl}[1,2,4]triazolo[4,3-b]pyridazine
CID 5905165

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]propanamide?
The IUPAC name of 2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanamide (CID 71579010) is 2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanamide.
What is the SMILES notation for 2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanamide?
The canonical SMILES for 2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanamide is CC(Sc1ccc2nnc(-c3cccs3)n2n1)C(N)=O.
What is the InChIKey of 2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanamide?
The InChIKey is FAMVTOHABPZSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS2/c1-7(11(13)18)20-10-5-4-9-14-15-12(17(9)16-10)8-3-2-6-19-8/h2-7H,1H3,(H2,13,18).
What are the key properties of 2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanamide?
2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanamide has a molecular weight of 305.39 g/mol, XLogP of 1.82, 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]propanamide is sourced from PubChem (CID 71579010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).