5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-oxa-5-azabicyclo[2.2.1]heptane

C10H11N5O — CID 126853540

IUPAC5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESc1cc2nncn2nc1N1CC2CC1CO2
InChIInChI=1S/C10H11N5O/c1-2-10(13-15-6-11-12-9(1)15)14-4-8-3-7(14)5-16-8/h1-2,6-8H,3-5H2
InChIKeyUYAYBFLRFLFWJL-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.10
Rot. Bonds1

About 5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-oxa-5-azabicyclo[2.2.1]heptane

5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 126853540) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID126853540
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESc1cc2nncn2nc1N1CC2CC1CO2
InChIInChI=1S/C10H11N5O/c1-2-10(13-15-6-11-12-9(1)15)14-4-8-3-7(14)5-16-8/h1-2,6-8H,3-5H2
InChIKeyUYAYBFLRFLFWJL-UHFFFAOYSA-N
XLogP0.10
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-oxa-5-azabicyclo[2.2.1]heptane with MolForge

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Related Compounds

6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 172880430
6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyridine-3-carbaldehyde
CID 130894479
4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-amine
CID 131187094
5-[6-(chloromethyl)-2-pyridinyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 131186257
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
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
(1S,4S)-5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 169246358
5-(2,6-dichloropyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 131048767
(1R,4R)-5-(5-bromo-1,3,4-thiadiazol-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 146393482
5-(5-bromo-1,3,4-thiadiazol-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 130660302
6-[(2S)-4-(cyclohexylmethyl)-2-methylpiperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 95287581
4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)benzaldehyde
CID 84777224

Frequently Asked Questions

What is the IUPAC name of 5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-oxa-5-azabicyclo[2.2.1]heptane (CID 126853540) is 5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-oxa-5-azabicyclo[2.2.1]heptane is c1cc2nncn2nc1N1CC2CC1CO2.
What is the InChIKey of 5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is UYAYBFLRFLFWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-2-10(13-15-6-11-12-9(1)15)14-4-8-3-7(14)5-16-8/h1-2,6-8H,3-5H2.
What are the key properties of 5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 217.23 g/mol, XLogP of 0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 126853540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).