2-(4-ethoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide

C21H19N5O2 — CID 7532281

IUPAC2-(4-ethoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESCCOc1ccc(CC(=O)Nc2ccc(-c3ccc4nncn4n3)cc2)cc1
InChIInChI=1S/C21H19N5O2/c1-2-28-18-9-3-15(4-10-18)13-21(27)23-17-7-5-16(6-8-17)19-11-12-20-24-22-14-26(20)25-19/h3-12,14H,2,13H2,1H3,(H,23,27)
InChIKeyOFZAHIVONJACKT-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.37
Rot. Bonds6

About 2-(4-ethoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide

2-(4-ethoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (PubChem CID 7532281) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
PubChem CID7532281
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name2-(4-ethoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESCCOc1ccc(CC(=O)Nc2ccc(-c3ccc4nncn4n3)cc2)cc1
InChIInChI=1S/C21H19N5O2/c1-2-28-18-9-3-15(4-10-18)13-21(27)23-17-7-5-16(6-8-17)19-11-12-20-24-22-14-26(20)25-19/h3-12,14H,2,13H2,1H3,(H,23,27)
InChIKeyOFZAHIVONJACKT-UHFFFAOYSA-N
XLogP3.37
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532242
2-(4-acetylphenoxy)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036596
2-methoxy-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532318
2-benzylsulfanyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532239
2-(4-ethoxyphenyl)-N-[4-(1H-pyrazol-5-yl)phenyl]acetamide
CID 38779334
2-(2,4-dichlorophenoxy)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 16821295
2-(4-bromophenyl)-N-(4-ethoxyphenyl)acetamide
CID 2268503
N-(4-bromophenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719858
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532323
2-(4-chlorophenyl)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]acetamide
CID 8670504
2-(4-ethoxyphenyl)-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 110668432

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (CID 7532281) is 2-(4-ethoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is CCOc1ccc(CC(=O)Nc2ccc(-c3ccc4nncn4n3)cc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The InChIKey is OFZAHIVONJACKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-2-28-18-9-3-15(4-10-18)13-21(27)23-17-7-5-16(6-8-17)19-11-12-20-24-22-14-26(20)25-19/h3-12,14H,2,13H2,1H3,(H,23,27).
What are the key properties of 2-(4-ethoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
2-(4-ethoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide has a molecular weight of 373.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is sourced from PubChem (CID 7532281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).