2-(6-pyridin-2-ylpyridazin-3-yl)oxyethylazanium

C11H13N4O+ — CID 52903537

IUPAC2-(6-pyridin-2-ylpyridazin-3-yl)oxyethylazanium
SMILES[NH3+]CCOc1ccc(-c2ccccn2)nn1
InChIInChI=1S/C11H12N4O/c12-6-8-16-11-5-4-10(14-15-11)9-3-1-2-7-13-9/h1-5,7H,6,8,12H2/p+1
InChIKeyCIESABYUZDYGNH-UHFFFAOYSA-O
MW217.25 g/mol
LogP0.16
Rot. Bonds4

About 2-(6-pyridin-2-ylpyridazin-3-yl)oxyethylazanium

2-(6-pyridin-2-ylpyridazin-3-yl)oxyethylazanium (PubChem CID 52903537) has the molecular formula C11H13N4O+ and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-(6-pyridin-2-ylpyridazin-3-yl)oxyethylazanium.

Molecular Properties

Compound Name2-(6-pyridin-2-ylpyridazin-3-yl)oxyethylazanium
PubChem CID52903537
Molecular FormulaC11H13N4O+
Molecular Weight217.25 g/mol
Exact Mass217.11
IUPAC Name2-(6-pyridin-2-ylpyridazin-3-yl)oxyethylazanium
SMILES[NH3+]CCOc1ccc(-c2ccccn2)nn1
InChIInChI=1S/C11H12N4O/c12-6-8-16-11-5-4-10(14-15-11)9-3-1-2-7-13-9/h1-5,7H,6,8,12H2/p+1
InChIKeyCIESABYUZDYGNH-UHFFFAOYSA-O
XLogP0.16
TPSA75.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-pyridin-2-ylpyridazin-3-yl)oxyethylazanium?
The IUPAC name of 2-(6-pyridin-2-ylpyridazin-3-yl)oxyethylazanium (CID 52903537) is 2-(6-pyridin-2-ylpyridazin-3-yl)oxyethylazanium.
What is the SMILES notation for 2-(6-pyridin-2-ylpyridazin-3-yl)oxyethylazanium?
The canonical SMILES for 2-(6-pyridin-2-ylpyridazin-3-yl)oxyethylazanium is [NH3+]CCOc1ccc(-c2ccccn2)nn1.
What is the InChIKey of 2-(6-pyridin-2-ylpyridazin-3-yl)oxyethylazanium?
The InChIKey is CIESABYUZDYGNH-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H12N4O/c12-6-8-16-11-5-4-10(14-15-11)9-3-1-2-7-13-9/h1-5,7H,6,8,12H2/p+1.
What are the key properties of 2-(6-pyridin-2-ylpyridazin-3-yl)oxyethylazanium?
2-(6-pyridin-2-ylpyridazin-3-yl)oxyethylazanium has a molecular weight of 217.25 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-pyridin-2-ylpyridazin-3-yl)oxyethylazanium is sourced from PubChem (CID 52903537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).