N-(2-ethylsulfonylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

C19H22N6O3S — CID 55613145

IUPACN-(2-ethylsulfonylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C19H22N6O3S/c1-2-29(27,28)16-6-4-3-5-15(16)21-19(26)14-9-11-24(12-10-14)18-8-7-17-22-20-13-25(17)23-18/h3-8,13-14H,2,9-12H2,1H3,(H,21,26)
InChIKeyYVUVEZFIMSOXLM-UHFFFAOYSA-N
MW414.49 g/mol
LogP1.77
Rot. Bonds5

About N-(2-ethylsulfonylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

N-(2-ethylsulfonylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 55613145) has the molecular formula C19H22N6O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-(2-ethylsulfonylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID55613145
Molecular FormulaC19H22N6O3S
Molecular Weight414.49 g/mol
Exact Mass414.15
IUPAC NameN-(2-ethylsulfonylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C19H22N6O3S/c1-2-29(27,28)16-6-4-3-5-15(16)21-19(26)14-9-11-24(12-10-14)18-8-7-17-22-20-13-25(17)23-18/h3-8,13-14H,2,9-12H2,1H3,(H,21,26)
InChIKeyYVUVEZFIMSOXLM-UHFFFAOYSA-N
XLogP1.77
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-chloro-2-methylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 134022752
N-(4-butylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 35439976
N-(4-methylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 35439068
N'-(2-methylbenzoyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carbohydrazide
CID 43057127
N-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29132243
N-(4-phenylbutan-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 42652793
N-(3-phenylpropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29136292
N-[[2-(methoxymethyl)phenyl]methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 32607331
(3R)-N-(2-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39352897
N-(3-bromo-4-methylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 55579434
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 55895430
2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]propanamide
CID 163348995

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-ethylsulfonylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 55613145) is N-(2-ethylsulfonylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylsulfonylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-ethylsulfonylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is CCS(=O)(=O)c1ccccc1NC(=O)C1CCN(c2ccc3nncn3n2)CC1.
What is the InChIKey of N-(2-ethylsulfonylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is YVUVEZFIMSOXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3S/c1-2-29(27,28)16-6-4-3-5-15(16)21-19(26)14-9-11-24(12-10-14)18-8-7-17-22-20-13-25(17)23-18/h3-8,13-14H,2,9-12H2,1H3,(H,21,26).
What are the key properties of N-(2-ethylsulfonylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-(2-ethylsulfonylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55613145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).