N-[2-[[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]-2-(4-ethylphenoxy)propanamide

C24H24ClN5O3 — CID 121059491

IUPACN-[2-[[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]-2-(4-ethylphenoxy)propanamide
SMILESCCc1ccc(OC(C)C(=O)NCCOc2ccc3nnc(-c4ccccc4Cl)n3n2)cc1
InChIInChI=1S/C24H24ClN5O3/c1-3-17-8-10-18(11-9-17)33-16(2)24(31)26-14-15-32-22-13-12-21-27-28-23(30(21)29-22)19-6-4-5-7-20(19)25/h4-13,16H,3,14-15H2,1-2H3,(H,26,31)
InChIKeyKCEXNNPLMVWZNB-UHFFFAOYSA-N
MW465.94 g/mol
LogP3.97
Rot. Bonds9

About N-[2-[[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]-2-(4-ethylphenoxy)propanamide

N-[2-[[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]-2-(4-ethylphenoxy)propanamide (PubChem CID 121059491) has the molecular formula C24H24ClN5O3 and a molecular weight of 465.94 g/mol. Its IUPAC name is N-[2-[[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]-2-(4-ethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-[[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]-2-(4-ethylphenoxy)propanamide
PubChem CID121059491
Molecular FormulaC24H24ClN5O3
Molecular Weight465.94 g/mol
Exact Mass465.16
IUPAC NameN-[2-[[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]-2-(4-ethylphenoxy)propanamide
SMILESCCc1ccc(OC(C)C(=O)NCCOc2ccc3nnc(-c4ccccc4Cl)n3n2)cc1
InChIInChI=1S/C24H24ClN5O3/c1-3-17-8-10-18(11-9-17)33-16(2)24(31)26-14-15-32-22-13-12-21-27-28-23(30(21)29-22)19-6-4-5-7-20(19)25/h4-13,16H,3,14-15H2,1-2H3,(H,26,31)
InChIKeyKCEXNNPLMVWZNB-UHFFFAOYSA-N
XLogP3.97
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 53.97
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

2-(1,3-benzodioxol-5-yloxy)-N-[2-[[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]propanamide
CID 121059489
2-(4-ethylphenoxy)-N-[2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]propanamide
CID 121059443
2-(4-methoxyphenoxy)-N-[2-[[3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]propanamide
CID 121059454
2-(4-ethoxyphenoxy)-N-[2-[[3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]propanamide
CID 121059455
2-(4-ethoxyphenoxy)-N-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]ethyl]propanamide
CID 121059397
2-(4-chloro-3-methylphenoxy)-N-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]ethyl]propanamide
CID 121059402
N-[2-[[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]-4-methylbenzamide
CID 42109284
N-[2-[[3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]-2-(3,5-dimethylphenoxy)propanamide
CID 121059512
2-(3-ethoxyphenoxy)-N-[2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]propanamide
CID 121059420
2-(3,5-dimethylphenoxy)-N-[2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]propanamide
CID 121059415
2-(2,4-difluorophenoxy)-N-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]ethyl]propanamide
CID 121059403
2-chloro-N-[2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]benzamide
CID 42109250

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]-2-(4-ethylphenoxy)propanamide?
The IUPAC name of N-[2-[[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]-2-(4-ethylphenoxy)propanamide (CID 121059491) is N-[2-[[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]-2-(4-ethylphenoxy)propanamide.
What is the SMILES notation for N-[2-[[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]-2-(4-ethylphenoxy)propanamide?
The canonical SMILES for N-[2-[[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]-2-(4-ethylphenoxy)propanamide is CCc1ccc(OC(C)C(=O)NCCOc2ccc3nnc(-c4ccccc4Cl)n3n2)cc1.
What is the InChIKey of N-[2-[[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]-2-(4-ethylphenoxy)propanamide?
The InChIKey is KCEXNNPLMVWZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O3/c1-3-17-8-10-18(11-9-17)33-16(2)24(31)26-14-15-32-22-13-12-21-27-28-23(30(21)29-22)19-6-4-5-7-20(19)25/h4-13,16H,3,14-15H2,1-2H3,(H,26,31).
What are the key properties of N-[2-[[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]-2-(4-ethylphenoxy)propanamide?
N-[2-[[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]-2-(4-ethylphenoxy)propanamide has a molecular weight of 465.94 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]-2-(4-ethylphenoxy)propanamide is sourced from PubChem (CID 121059491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).