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

C20H16N6O2S — CID 7190691

IUPACN-(4-acetylphenyl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2ccc3nnc(-c4cccnc4)n3n2)cc1
InChIInChI=1S/C20H16N6O2S/c1-13(27)14-4-6-16(7-5-14)22-18(28)12-29-19-9-8-17-23-24-20(26(17)25-19)15-3-2-10-21-11-15/h2-11H,12H2,1H3,(H,22,28)
InChIKeyLIBGXZYDLLAICH-UHFFFAOYSA-N
MW404.46 g/mol
LogP3.12
Rot. Bonds6

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

N-(4-acetylphenyl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (PubChem CID 7190691) has the molecular formula C20H16N6O2S and a molecular weight of 404.46 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
PubChem CID7190691
Molecular FormulaC20H16N6O2S
Molecular Weight404.46 g/mol
Exact Mass404.11
IUPAC NameN-(4-acetylphenyl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2ccc3nnc(-c4cccnc4)n3n2)cc1
InChIInChI=1S/C20H16N6O2S/c1-13(27)14-4-6-16(7-5-14)22-18(28)12-29-19-9-8-17-23-24-20(26(17)25-19)15-3-2-10-21-11-15/h2-11H,12H2,1H3,(H,22,28)
InChIKeyLIBGXZYDLLAICH-UHFFFAOYSA-N
XLogP3.12
TPSA102.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(4-acetylphenyl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide with MolForge

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Related Compounds

[4-[[8-(4-Methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 59199010
N,N-dimethyl-4-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59199131
US10100058, Example 105
CID 134540034
US10774086, Example 5
CID 134551847
N-[2-(dimethylamino)ethyl]-3-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)benzamide
CID 137227337
N-(4-acetylphenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 16314045
3-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]butanamide
CID 11281152
1-Propan-2-yl-3-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]urea
CID 11418298
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CID 11618251
2-phenyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
CID 11669309
N-Butyl-N'-{3-[3-(thien-2-ylcarbonyl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl}urea
CID 11676105
N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]pent-4-enamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (CID 7190691) is N-(4-acetylphenyl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is CC(=O)c1ccc(NC(=O)CSc2ccc3nnc(-c4cccnc4)n3n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The InChIKey is LIBGXZYDLLAICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2S/c1-13(27)14-4-6-16(7-5-14)22-18(28)12-29-19-9-8-17-23-24-20(26(17)25-19)15-3-2-10-21-11-15/h2-11H,12H2,1H3,(H,22,28).
What are the key properties of N-(4-acetylphenyl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
N-(4-acetylphenyl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide has a molecular weight of 404.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 7190691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).