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

C20H17N5O2 — CID 7217798

IUPAC4-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1
InChIInChI=1S/C20H17N5O2/c1-2-27-17-8-6-14(7-9-17)20(26)22-16-5-3-4-15(12-16)18-10-11-19-23-21-13-25(19)24-18/h3-13H,2H2,1H3,(H,22,26)
InChIKeyGDRWIGLGYQGGSD-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.44
Rot. Bonds5

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

4-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (PubChem CID 7217798) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
PubChem CID7217798
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name4-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1
InChIInChI=1S/C20H17N5O2/c1-2-27-17-8-6-14(7-9-17)20(26)22-16-5-3-4-15(12-16)18-10-11-19-23-21-13-25(19)24-18/h3-13H,2H2,1H3,(H,22,26)
InChIKeyGDRWIGLGYQGGSD-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(4-Amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)phenyl]-3-(4-phenylmethoxyphenyl)urea
CID 16739855
5-(4-Ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 726942
4-methoxy-N-(2-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide
CID 46237929
2-[5,7-dimethyl-2-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
CID 118731294
2-[5,7-dimethyl-2-[4-(2-phenylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
CID 118731301
3,4-dimethoxy-N-(3-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}phenyl)benzamide
CID 7217791
2-(4-methoxyphenyl)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532425
N-(3-(3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46880227
N-methyl-4-(quinolin-2-ylmethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
CID 56596177
N-methyl-4-(quinolin-2-ylmethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)benzamide
CID 56596178
N-[3-(imidazo[1,2-b]pyridazin-6-yloxy)phenyl]benzamide
CID 57441057
3-(imidazo[1,2-b]pyridazin-6-yloxy)-N-phenylbenzamide
CID 57441068

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The IUPAC name of 4-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (CID 7217798) is 4-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The InChIKey is GDRWIGLGYQGGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-2-27-17-8-6-14(7-9-17)20(26)22-16-5-3-4-15(12-16)18-10-11-19-23-21-13-25(19)24-18/h3-13H,2H2,1H3,(H,22,26).
What are the key properties of 4-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
4-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide has a molecular weight of 359.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is sourced from PubChem (CID 7217798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).