1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine

C10H14N6 — CID 131631786

IUPAC1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine
SMILESNC1CCCN(c2ccc3nncn3n2)C1
InChIInChI=1S/C10H14N6/c11-8-2-1-5-15(6-8)10-4-3-9-13-12-7-16(9)14-10/h3-4,7-8H,1-2,5-6,11H2
InChIKeyCLOXMCGNSZMLFA-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.05
Rot. Bonds1

About 1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine

1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine (PubChem CID 131631786) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine
PubChem CID131631786
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine
SMILESNC1CCCN(c2ccc3nncn3n2)C1
InChIInChI=1S/C10H14N6/c11-8-2-1-5-15(6-8)10-4-3-9-13-12-7-16(9)14-10/h3-4,7-8H,1-2,5-6,11H2
InChIKeyCLOXMCGNSZMLFA-UHFFFAOYSA-N
XLogP0.05
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanesulfonamide
CID 166603584
6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 172880430
6-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 154830579
1-pyridazin-3-ylpiperidin-3-amine
CID 54593919
(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine
CID 86318137
6-(3-pyrazol-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126946427
6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 121185358
N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175650624
(3R)-N-(2-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39352897
(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
(3S)-N-(3-chlorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39348001
1-[3-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-1-yl]ethanone
CID 126920676

Frequently Asked Questions

What is the IUPAC name of 1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine?
The IUPAC name of 1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine (CID 131631786) is 1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine.
What is the SMILES notation for 1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine?
The canonical SMILES for 1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine is NC1CCCN(c2ccc3nncn3n2)C1.
What is the InChIKey of 1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine?
The InChIKey is CLOXMCGNSZMLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c11-8-2-1-5-15(6-8)10-4-3-9-13-12-7-16(9)14-10/h3-4,7-8H,1-2,5-6,11H2.
What are the key properties of 1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine?
1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine has a molecular weight of 218.26 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine is sourced from PubChem (CID 131631786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).