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

C21H24N6O — CID 42951483

IUPACN-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C21H24N6O/c28-21(23-18-7-3-5-15-4-1-2-6-17(15)18)16-10-12-26(13-11-16)20-9-8-19-24-22-14-27(19)25-20/h1-2,4,6,8-9,14,16,18H,3,5,7,10-13H2,(H,23,28)
InChIKeyCIAWQAOCNVKZSZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.53
Rot. Bonds3

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

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 42951483) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID42951483
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C21H24N6O/c28-21(23-18-7-3-5-15-4-1-2-6-17(15)18)16-10-12-26(13-11-16)20-9-8-19-24-22-14-27(19)25-20/h1-2,4,6,8-9,14,16,18H,3,5,7,10-13H2,(H,23,28)
InChIKeyCIAWQAOCNVKZSZ-UHFFFAOYSA-N
XLogP2.53
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 134060258
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxylate
CID 56569335
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9192383
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 20889496
N'-(2-methylbenzoyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carbohydrazide
CID 43057127
N-(3-phenylpropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29136292
1-(4-methylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 3697521
1-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 51687317
N-(4-methylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 35439068
1-(dimethylsulfamoyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 93487580
N-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29132243

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 42951483) is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is O=C(NC1CCCc2ccccc21)C1CCN(c2ccc3nncn3n2)CC1.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is CIAWQAOCNVKZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c28-21(23-18-7-3-5-15-4-1-2-6-17(15)18)16-10-12-26(13-11-16)20-9-8-19-24-22-14-27(19)25-20/h1-2,4,6,8-9,14,16,18H,3,5,7,10-13H2,(H,23,28).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 42951483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).