4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,9-dioxa-4-azaspiro[5.5]undecane

C19H19Cl2N5O2 — CID 133378221

IUPAC4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,9-dioxa-4-azaspiro[5.5]undecane
SMILESClc1cc(Cl)cc(-c2nnc3ccc(N4CCOC5(CCOCC5)C4)nn23)c1
InChIInChI=1S/C19H19Cl2N5O2/c20-14-9-13(10-15(21)11-14)18-23-22-16-1-2-17(24-26(16)18)25-5-8-28-19(12-25)3-6-27-7-4-19/h1-2,9-11H,3-8,12H2
InChIKeyNYDFYUAULULHIW-UHFFFAOYSA-N
MW420.30 g/mol
LogP3.48
Rot. Bonds2

About 4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,9-dioxa-4-azaspiro[5.5]undecane

4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,9-dioxa-4-azaspiro[5.5]undecane (PubChem CID 133378221) has the molecular formula C19H19Cl2N5O2 and a molecular weight of 420.30 g/mol. Its IUPAC name is 4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,9-dioxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,9-dioxa-4-azaspiro[5.5]undecane
PubChem CID133378221
Molecular FormulaC19H19Cl2N5O2
Molecular Weight420.30 g/mol
Exact Mass419.09
IUPAC Name4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,9-dioxa-4-azaspiro[5.5]undecane
SMILESClc1cc(Cl)cc(-c2nnc3ccc(N4CCOC5(CCOCC5)C4)nn23)c1
InChIInChI=1S/C19H19Cl2N5O2/c20-14-9-13(10-15(21)11-14)18-23-22-16-1-2-17(24-26(16)18)25-5-8-28-19(12-25)3-6-27-7-4-19/h1-2,9-11H,3-8,12H2
InChIKeyNYDFYUAULULHIW-UHFFFAOYSA-N
XLogP3.48
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,9-dioxa-4-azaspiro[5.5]undecane with MolForge

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Related Compounds

8-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-8-azaspiro[3.5]nonane
CID 138996341
4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 166190766
4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
CID 133421191
3-(3,5-dichlorophenyl)-6-(4-propyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133312575
3-(3,5-dichlorophenyl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133312174
7-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-4-oxa-7-azaspiro[2.5]octane
CID 169237104
4-(5-chloro-2-pyridinyl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138382286
tert-butyl N-[1-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-yl]carbamate
CID 133293196
6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 15107884
3-(2,6-dichlorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 674115
6-(5-azaspiro[2.5]octan-5-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133480874
3-(3,5-dichlorophenyl)-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133305149

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,9-dioxa-4-azaspiro[5.5]undecane?
The IUPAC name of 4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,9-dioxa-4-azaspiro[5.5]undecane (CID 133378221) is 4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,9-dioxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,9-dioxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,9-dioxa-4-azaspiro[5.5]undecane is Clc1cc(Cl)cc(-c2nnc3ccc(N4CCOC5(CCOCC5)C4)nn23)c1.
What is the InChIKey of 4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,9-dioxa-4-azaspiro[5.5]undecane?
The InChIKey is NYDFYUAULULHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O2/c20-14-9-13(10-15(21)11-14)18-23-22-16-1-2-17(24-26(16)18)25-5-8-28-19(12-25)3-6-27-7-4-19/h1-2,9-11H,3-8,12H2.
What are the key properties of 4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,9-dioxa-4-azaspiro[5.5]undecane?
4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,9-dioxa-4-azaspiro[5.5]undecane has a molecular weight of 420.30 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,9-dioxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 133378221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).