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

C20H31N7O — CID 39333662

IUPAC(3S)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
SMILESCC1(C)CC(NC(=O)[C@H]2CCCN(c3ccc4nncn4n3)C2)CC(C)(C)N1
InChIInChI=1S/C20H31N7O/c1-19(2)10-15(11-20(3,4)25-19)22-18(28)14-6-5-9-26(12-14)17-8-7-16-23-21-13-27(16)24-17/h7-8,13-15,25H,5-6,9-12H2,1-4H3,(H,22,28)/t14-/m0/s1
InChIKeyNNSGZAIXHSLRFD-AWEZNQCLSA-N
MW385.52 g/mol
LogP1.77
Rot. Bonds3

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

(3S)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide (PubChem CID 39333662) has the molecular formula C20H31N7O and a molecular weight of 385.52 g/mol. Its IUPAC name is (3S)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
PubChem CID39333662
Molecular FormulaC20H31N7O
Molecular Weight385.52 g/mol
Exact Mass385.26
IUPAC Name(3S)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
SMILESCC1(C)CC(NC(=O)[C@H]2CCCN(c3ccc4nncn4n3)C2)CC(C)(C)N1
InChIInChI=1S/C20H31N7O/c1-19(2)10-15(11-20(3,4)25-19)22-18(28)14-6-5-9-26(12-14)17-8-7-16-23-21-13-27(16)24-17/h7-8,13-15,25H,5-6,9-12H2,1-4H3,(H,22,28)/t14-/m0/s1
InChIKeyNNSGZAIXHSLRFD-AWEZNQCLSA-N
XLogP1.77
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3S)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-(2-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39352897
(3S)-N-(3-ethoxypropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 92889475
(3S)-N-(3-chlorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39348001
N-(5-chloro-2,4-dimethoxyphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 42656049
(3S)-N-[(2-methoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39353040
N-[(2-methoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 42656095
(3S)-N-(3-chloro-4-methoxyphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39354463
(3R)-N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39310132
N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 42653402
N-cyclooctyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 42655620
1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine
CID 131631786
N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175650624

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide (CID 39333662) is (3S)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide is CC1(C)CC(NC(=O)[C@H]2CCCN(c3ccc4nncn4n3)C2)CC(C)(C)N1.
What is the InChIKey of (3S)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide?
The InChIKey is NNSGZAIXHSLRFD-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H31N7O/c1-19(2)10-15(11-20(3,4)25-19)22-18(28)14-6-5-9-26(12-14)17-8-7-16-23-21-13-27(16)24-17/h7-8,13-15,25H,5-6,9-12H2,1-4H3,(H,22,28)/t14-/m0/s1.
What are the key properties of (3S)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide?
(3S)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide has a molecular weight of 385.52 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide is sourced from PubChem (CID 39333662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).