1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N'-[3-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide

C18H18F3N7O — CID 56520282

IUPAC1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N'-[3-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide
SMILESO=C(NNc1cccc(C(F)(F)F)c1)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C18H18F3N7O/c19-18(20,21)13-2-1-3-14(10-13)23-25-17(29)12-6-8-27(9-7-12)16-5-4-15-24-22-11-28(15)26-16/h1-5,10-12,23H,6-9H2,(H,25,29)
InChIKeyKGVAXGYWBNOYJE-UHFFFAOYSA-N
MW405.38 g/mol
LogP2.50
Rot. Bonds4

About 1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N'-[3-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide

1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N'-[3-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide (PubChem CID 56520282) has the molecular formula C18H18F3N7O and a molecular weight of 405.38 g/mol. Its IUPAC name is 1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N'-[3-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N'-[3-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide
PubChem CID56520282
Molecular FormulaC18H18F3N7O
Molecular Weight405.38 g/mol
Exact Mass405.15
IUPAC Name1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N'-[3-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide
SMILESO=C(NNc1cccc(C(F)(F)F)c1)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C18H18F3N7O/c19-18(20,21)13-2-1-3-14(10-13)23-25-17(29)12-6-8-27(9-7-12)16-5-4-15-24-22-11-28(15)26-16/h1-5,10-12,23H,6-9H2,(H,25,29)
InChIKeyKGVAXGYWBNOYJE-UHFFFAOYSA-N
XLogP2.50
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29132243
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-(3-chloro-2-methylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 134022752
1-(6-methoxypyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 71702503
N-(3-bromo-4-methylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 55579434
N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 55893808
1-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 134161428
N-(2,3-dihydro-1H-inden-1-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 134060258
N-(2-amino-2-phenylethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide;hydrochloride
CID 119528063
(2R)-3-methyl-2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]butanoic acid
CID 119369237
N-(3-phenylpropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29136292

Frequently Asked Questions

What is the IUPAC name of 1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N'-[3-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N'-[3-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide (CID 56520282) is 1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N'-[3-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N'-[3-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N'-[3-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide is O=C(NNc1cccc(C(F)(F)F)c1)C1CCN(c2ccc3nncn3n2)CC1.
What is the InChIKey of 1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N'-[3-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide?
The InChIKey is KGVAXGYWBNOYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N7O/c19-18(20,21)13-2-1-3-14(10-13)23-25-17(29)12-6-8-27(9-7-12)16-5-4-15-24-22-11-28(15)26-16/h1-5,10-12,23H,6-9H2,(H,25,29).
What are the key properties of 1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N'-[3-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide?
1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N'-[3-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide has a molecular weight of 405.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N'-[3-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 56520282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).