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

C16H24N6O2 — CID 92889475

IUPAC(3S)-N-(3-ethoxypropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
SMILESCCOCCCNC(=O)[C@H]1CCCN(c2ccc3nncn3n2)C1
InChIInChI=1S/C16H24N6O2/c1-2-24-10-4-8-17-16(23)13-5-3-9-21(11-13)15-7-6-14-19-18-12-22(14)20-15/h6-7,12-13H,2-5,8-11H2,1H3,(H,17,23)/t13-/m0/s1
InChIKeyXFSQZRYLWJQJDJ-ZDUSSCGKSA-N
MW332.41 g/mol
LogP0.88
Rot. Bonds7

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

(3S)-N-(3-ethoxypropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide (PubChem CID 92889475) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is (3S)-N-(3-ethoxypropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-ethoxypropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
PubChem CID92889475
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name(3S)-N-(3-ethoxypropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
SMILESCCOCCCNC(=O)[C@H]1CCCN(c2ccc3nncn3n2)C1
InChIInChI=1S/C16H24N6O2/c1-2-24-10-4-8-17-16(23)13-5-3-9-21(11-13)15-7-6-14-19-18-12-22(14)20-15/h6-7,12-13H,2-5,8-11H2,1H3,(H,17,23)/t13-/m0/s1
InChIKeyXFSQZRYLWJQJDJ-ZDUSSCGKSA-N
XLogP0.88
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(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
N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3309931
(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
1-(1,3-benzoxazol-2-yl)-N-(3-ethoxypropyl)piperidine-3-carboxamide
CID 3654131
N-(5-chloro-2,4-dimethoxyphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 42656049
(3R)-N-(3-methoxypropyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 97265102
(3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide
CID 99970155
(3R)-N-(2-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39352897
N-butyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-3-carboxamide
CID 49431618
(3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 51983369
(3S)-N-(3-ethoxypropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085829

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-ethoxypropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-ethoxypropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide (CID 92889475) is (3S)-N-(3-ethoxypropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-ethoxypropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-ethoxypropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide is CCOCCCNC(=O)[C@H]1CCCN(c2ccc3nncn3n2)C1.
What is the InChIKey of (3S)-N-(3-ethoxypropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide?
The InChIKey is XFSQZRYLWJQJDJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-2-24-10-4-8-17-16(23)13-5-3-9-21(11-13)15-7-6-14-19-18-12-22(14)20-15/h6-7,12-13H,2-5,8-11H2,1H3,(H,17,23)/t13-/m0/s1.
What are the key properties of (3S)-N-(3-ethoxypropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide?
(3S)-N-(3-ethoxypropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-ethoxypropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92889475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).