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

C20H24N6O — CID 29136292

IUPACN-(3-phenylpropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C20H24N6O/c27-20(21-12-4-7-16-5-2-1-3-6-16)17-10-13-25(14-11-17)19-9-8-18-23-22-15-26(18)24-19/h1-3,5-6,8-9,15,17H,4,7,10-14H2,(H,21,27)
InChIKeyUQVRSXHRBYNEIN-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.09
Rot. Bonds6

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

N-(3-phenylpropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 29136292) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(3-phenylpropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID29136292
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-(3-phenylpropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C20H24N6O/c27-20(21-12-4-7-16-5-2-1-3-6-16)17-10-13-25(14-11-17)19-9-8-18-23-22-15-26(18)24-19/h1-3,5-6,8-9,15,17H,4,7,10-14H2,(H,21,27)
InChIKeyUQVRSXHRBYNEIN-UHFFFAOYSA-N
XLogP2.09
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-phenylpropyl)-1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 52898495
N-(4-phenylbutan-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 42652793
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29138973
N-(2-amino-2-phenylethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide;hydrochloride
CID 119528063
N-(4-butylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 35439976
N-[[2-(methoxymethyl)phenyl]methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 32607331
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 53070485
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 56518180
N-[[(2R)-oxolan-2-yl]methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29131621
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 166179292
1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 42654286

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 29136292) is N-(3-phenylpropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is O=C(NCCCc1ccccc1)C1CCN(c2ccc3nncn3n2)CC1.
What is the InChIKey of N-(3-phenylpropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is UQVRSXHRBYNEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c27-20(21-12-4-7-16-5-2-1-3-6-16)17-10-13-25(14-11-17)19-9-8-18-23-22-15-26(18)24-19/h1-3,5-6,8-9,15,17H,4,7,10-14H2,(H,21,27).
What are the key properties of N-(3-phenylpropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-(3-phenylpropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 29136292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).