3-amino-4-pyridazin-3-yloxybenzonitrile

C11H8N4O — CID 62482847

IUPAC3-amino-4-pyridazin-3-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2cccnn2)c(N)c1
InChIInChI=1S/C11H8N4O/c12-7-8-3-4-10(9(13)6-8)16-11-2-1-5-14-15-11/h1-6H,13H2
InChIKeyLHPUMOCLESKJJF-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.72
Rot. Bonds2

About 3-amino-4-pyridazin-3-yloxybenzonitrile

3-amino-4-pyridazin-3-yloxybenzonitrile (PubChem CID 62482847) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-amino-4-pyridazin-3-yloxybenzonitrile.

Molecular Properties

Compound Name3-amino-4-pyridazin-3-yloxybenzonitrile
PubChem CID62482847
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name3-amino-4-pyridazin-3-yloxybenzonitrile
SMILESN#Cc1ccc(Oc2cccnn2)c(N)c1
InChIInChI=1S/C11H8N4O/c12-7-8-3-4-10(9(13)6-8)16-11-2-1-5-14-15-11/h1-6H,13H2
InChIKeyLHPUMOCLESKJJF-UHFFFAOYSA-N
XLogP1.72
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-amino-4-pyridazin-3-yloxybenzonitrile?
The IUPAC name of 3-amino-4-pyridazin-3-yloxybenzonitrile (CID 62482847) is 3-amino-4-pyridazin-3-yloxybenzonitrile.
What is the SMILES notation for 3-amino-4-pyridazin-3-yloxybenzonitrile?
The canonical SMILES for 3-amino-4-pyridazin-3-yloxybenzonitrile is N#Cc1ccc(Oc2cccnn2)c(N)c1.
What is the InChIKey of 3-amino-4-pyridazin-3-yloxybenzonitrile?
The InChIKey is LHPUMOCLESKJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c12-7-8-3-4-10(9(13)6-8)16-11-2-1-5-14-15-11/h1-6H,13H2.
What are the key properties of 3-amino-4-pyridazin-3-yloxybenzonitrile?
3-amino-4-pyridazin-3-yloxybenzonitrile has a molecular weight of 212.21 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-pyridazin-3-yloxybenzonitrile is sourced from PubChem (CID 62482847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).