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

C19H14ClN5O2 — CID 7217777

IUPAC2-(4-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C19H14ClN5O2/c20-14-4-6-16(7-5-14)27-11-19(26)22-15-3-1-2-13(10-15)17-8-9-18-23-21-12-25(18)24-17/h1-10,12H,11H2,(H,22,26)
InChIKeyGJUQXPRUEMZZMA-UHFFFAOYSA-N
MW379.81 g/mol
LogP3.46
Rot. Bonds5

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

2-(4-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (PubChem CID 7217777) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
PubChem CID7217777
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC Name2-(4-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C19H14ClN5O2/c20-14-4-6-16(7-5-14)27-11-19(26)22-15-3-1-2-13(10-15)17-8-9-18-23-21-12-25(18)24-17/h1-10,12H,11H2,(H,22,26)
InChIKeyGJUQXPRUEMZZMA-UHFFFAOYSA-N
XLogP3.46
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (CID 7217777) is 2-(4-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1cccc(-c2ccc3nncn3n2)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The InChIKey is GJUQXPRUEMZZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c20-14-4-6-16(7-5-14)27-11-19(26)22-15-3-1-2-13(10-15)17-8-9-18-23-21-12-25(18)24-17/h1-10,12H,11H2,(H,22,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
2-(4-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide has a molecular weight of 379.81 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is sourced from PubChem (CID 7217777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).