3-pyridazin-3-yloxyaniline;dihydrochloride

C10H11Cl2N3O — CID 54595561

IUPAC3-pyridazin-3-yloxyaniline;dihydrochloride
SMILESCl.Cl.Nc1cccc(Oc2cccnn2)c1
InChIInChI=1S/C10H9N3O.2ClH/c11-8-3-1-4-9(7-8)14-10-5-2-6-12-13-10;;/h1-7H,11H2;2*1H
InChIKeyGECRUGUBPZKDBF-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.69
Rot. Bonds2

About 3-pyridazin-3-yloxyaniline;dihydrochloride

3-pyridazin-3-yloxyaniline;dihydrochloride (PubChem CID 54595561) has the molecular formula C10H11Cl2N3O and a molecular weight of 260.12 g/mol. Its IUPAC name is 3-pyridazin-3-yloxyaniline;dihydrochloride.

Molecular Properties

Compound Name3-pyridazin-3-yloxyaniline;dihydrochloride
PubChem CID54595561
Molecular FormulaC10H11Cl2N3O
Molecular Weight260.12 g/mol
Exact Mass259.03
IUPAC Name3-pyridazin-3-yloxyaniline;dihydrochloride
SMILESCl.Cl.Nc1cccc(Oc2cccnn2)c1
InChIInChI=1S/C10H9N3O.2ClH/c11-8-3-1-4-9(7-8)14-10-5-2-6-12-13-10;;/h1-7H,11H2;2*1H
InChIKeyGECRUGUBPZKDBF-UHFFFAOYSA-N
XLogP2.69
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pyridazin-3-yloxyaniline;dihydrochloride?
The IUPAC name of 3-pyridazin-3-yloxyaniline;dihydrochloride (CID 54595561) is 3-pyridazin-3-yloxyaniline;dihydrochloride.
What is the SMILES notation for 3-pyridazin-3-yloxyaniline;dihydrochloride?
The canonical SMILES for 3-pyridazin-3-yloxyaniline;dihydrochloride is Cl.Cl.Nc1cccc(Oc2cccnn2)c1.
What is the InChIKey of 3-pyridazin-3-yloxyaniline;dihydrochloride?
The InChIKey is GECRUGUBPZKDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O.2ClH/c11-8-3-1-4-9(7-8)14-10-5-2-6-12-13-10;;/h1-7H,11H2;2*1H.
What are the key properties of 3-pyridazin-3-yloxyaniline;dihydrochloride?
3-pyridazin-3-yloxyaniline;dihydrochloride has a molecular weight of 260.12 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridazin-3-yloxyaniline;dihydrochloride is sourced from PubChem (CID 54595561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).