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

C20H17N5O2 — CID 7532242

IUPAC2-(4-methoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-c3ccc4nncn4n3)cc2)cc1
InChIInChI=1S/C20H17N5O2/c1-27-17-8-2-14(3-9-17)12-20(26)22-16-6-4-15(5-7-16)18-10-11-19-23-21-13-25(19)24-18/h2-11,13H,12H2,1H3,(H,22,26)
InChIKeyAZSKTEXTJQZXIG-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.98
Rot. Bonds5

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

2-(4-methoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (PubChem CID 7532242) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
PubChem CID7532242
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2-(4-methoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-c3ccc4nncn4n3)cc2)cc1
InChIInChI=1S/C20H17N5O2/c1-27-17-8-2-14(3-9-17)12-20(26)22-16-6-4-15(5-7-16)18-10-11-19-23-21-13-25(19)24-18/h2-11,13H,12H2,1H3,(H,22,26)
InChIKeyAZSKTEXTJQZXIG-UHFFFAOYSA-N
XLogP2.98
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532281
2-methoxy-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532318
2-(4-acetylphenoxy)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036596
2-benzylsulfanyl-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532239
2-(4-methoxyphenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2978424
N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532323
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036620
2-(2,4-dichlorophenoxy)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 16821295
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036605
2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 4228325
N-(4-methoxyphenyl)-2-pyridin-4-ylacetamide
CID 110697333
N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 1026844

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (CID 7532242) is 2-(4-methoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(-c3ccc4nncn4n3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The InChIKey is AZSKTEXTJQZXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-27-17-8-2-14(3-9-17)12-20(26)22-16-6-4-15(5-7-16)18-10-11-19-23-21-13-25(19)24-18/h2-11,13H,12H2,1H3,(H,22,26).
What are the key properties of 2-(4-methoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
2-(4-methoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide has a molecular weight of 359.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is sourced from PubChem (CID 7532242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).