2-(6-phenylpyridazin-3-yl)oxyethanamine

C12H13N3O — CID 52903526

IUPAC2-(6-phenylpyridazin-3-yl)oxyethanamine
SMILESNCCOc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C12H13N3O/c13-8-9-16-12-7-6-11(14-15-12)10-4-2-1-3-5-10/h1-7H,8-9,13H2
InChIKeyKTVHLBLXUXKCAA-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.48
Rot. Bonds4

About 2-(6-phenylpyridazin-3-yl)oxyethanamine

2-(6-phenylpyridazin-3-yl)oxyethanamine (PubChem CID 52903526) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(6-phenylpyridazin-3-yl)oxyethanamine.

Molecular Properties

Compound Name2-(6-phenylpyridazin-3-yl)oxyethanamine
PubChem CID52903526
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-(6-phenylpyridazin-3-yl)oxyethanamine
SMILESNCCOc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C12H13N3O/c13-8-9-16-12-7-6-11(14-15-12)10-4-2-1-3-5-10/h1-7H,8-9,13H2
InChIKeyKTVHLBLXUXKCAA-UHFFFAOYSA-N
XLogP1.48
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-phenylpyridazin-3-yl)oxyethanamine?
The IUPAC name of 2-(6-phenylpyridazin-3-yl)oxyethanamine (CID 52903526) is 2-(6-phenylpyridazin-3-yl)oxyethanamine.
What is the SMILES notation for 2-(6-phenylpyridazin-3-yl)oxyethanamine?
The canonical SMILES for 2-(6-phenylpyridazin-3-yl)oxyethanamine is NCCOc1ccc(-c2ccccc2)nn1.
What is the InChIKey of 2-(6-phenylpyridazin-3-yl)oxyethanamine?
The InChIKey is KTVHLBLXUXKCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-8-9-16-12-7-6-11(14-15-12)10-4-2-1-3-5-10/h1-7H,8-9,13H2.
What are the key properties of 2-(6-phenylpyridazin-3-yl)oxyethanamine?
2-(6-phenylpyridazin-3-yl)oxyethanamine has a molecular weight of 215.26 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenylpyridazin-3-yl)oxyethanamine is sourced from PubChem (CID 52903526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).