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

C20H17N5O2 — CID 7217778

IUPAC2-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C20H17N5O2/c1-2-27-18-9-4-3-8-16(18)20(26)22-15-7-5-6-14(12-15)17-10-11-19-23-21-13-25(19)24-17/h3-13H,2H2,1H3,(H,22,26)
InChIKeyDYQPUQRBHVGFNB-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.44
Rot. Bonds5

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

2-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (PubChem CID 7217778) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
PubChem CID7217778
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C20H17N5O2/c1-2-27-18-9-4-3-8-16(18)20(26)22-15-7-5-6-14(12-15)17-10-11-19-23-21-13-25(19)24-17/h3-13H,2H2,1H3,(H,22,26)
InChIKeyDYQPUQRBHVGFNB-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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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The IUPAC name of 2-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide (CID 7217778) is 2-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is CCOc1ccccc1C(=O)Nc1cccc(-c2ccc3nncn3n2)c1.
What is the InChIKey of 2-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
The InChIKey is DYQPUQRBHVGFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-2-27-18-9-4-3-8-16(18)20(26)22-15-7-5-6-14(12-15)17-10-11-19-23-21-13-25(19)24-17/h3-13H,2H2,1H3,(H,22,26).
What are the key properties of 2-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide?
2-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 2-ethoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide is sourced from PubChem (CID 7217778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).