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

C23H17N5O2 — CID 7532161

IUPAC2-naphthalen-2-yloxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C23H17N5O2/c29-23(14-30-20-9-8-16-4-1-2-5-17(16)13-20)25-19-7-3-6-18(12-19)21-10-11-22-26-24-15-28(22)27-21/h1-13,15H,14H2,(H,25,29)
InChIKeyRKMIJRVNWAQFOV-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.96
Rot. Bonds5

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

2-naphthalen-2-yloxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (PubChem CID 7532161) has the molecular formula C23H17N5O2 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
PubChem CID7532161
Molecular FormulaC23H17N5O2
Molecular Weight395.42 g/mol
Exact Mass395.14
IUPAC Name2-naphthalen-2-yloxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C23H17N5O2/c29-23(14-30-20-9-8-16-4-1-2-5-17(16)13-20)25-19-7-3-6-18(12-19)21-10-11-22-26-24-15-28(22)27-21/h1-13,15H,14H2,(H,25,29)
InChIKeyRKMIJRVNWAQFOV-UHFFFAOYSA-N
XLogP3.96
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
2-(4-acetylphenoxy)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036596
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-naphthalen-2-yloxyacetamide
CID 40506163
2-phenoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 16873269
2-bromo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532195
3-[(2-naphthalen-2-yloxyacetyl)amino]benzoate
CID 6967346
1-methyl-3-phenyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyrazole-5-carboxamide
CID 121036280
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]propanamide
CID 807123
N-(3-aminophenyl)-2-naphthalen-2-yloxyacetamide
CID 16788601
2-naphthalen-2-yloxy-N-pyridin-4-ylacetamide
CID 823638
4-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532235
2-naphthalen-2-yloxy-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 2579424

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (CID 7532161) is 2-naphthalen-2-yloxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is O=C(COc1ccc2ccccc2c1)Nc1cccc(-c2ccc3nncn3n2)c1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The InChIKey is RKMIJRVNWAQFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2/c29-23(14-30-20-9-8-16-4-1-2-5-17(16)13-20)25-19-7-3-6-18(12-19)21-10-11-22-26-24-15-28(22)27-21/h1-13,15H,14H2,(H,25,29).
What are the key properties of 2-naphthalen-2-yloxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
2-naphthalen-2-yloxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide has a molecular weight of 395.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is sourced from PubChem (CID 7532161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).