N-(azetidin-3-yl)-6-(5-bromo-2-fluorophenyl)pyridazin-3-amine

C13H12BrFN4 — CID 116970953

IUPACN-(azetidin-3-yl)-6-(5-bromo-2-fluorophenyl)pyridazin-3-amine
SMILESFc1ccc(Br)cc1-c1ccc(NC2CNC2)nn1
InChIInChI=1S/C13H12BrFN4/c14-8-1-2-11(15)10(5-8)12-3-4-13(19-18-12)17-9-6-16-7-9/h1-5,9,16H,6-7H2,(H,17,19)
InChIKeyGMEFZFDMSOQZOE-UHFFFAOYSA-N
MW323.17 g/mol
LogP2.43
Rot. Bonds3

About N-(azetidin-3-yl)-6-(5-bromo-2-fluorophenyl)pyridazin-3-amine

N-(azetidin-3-yl)-6-(5-bromo-2-fluorophenyl)pyridazin-3-amine (PubChem CID 116970953) has the molecular formula C13H12BrFN4 and a molecular weight of 323.17 g/mol. Its IUPAC name is N-(azetidin-3-yl)-6-(5-bromo-2-fluorophenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-6-(5-bromo-2-fluorophenyl)pyridazin-3-amine
PubChem CID116970953
Molecular FormulaC13H12BrFN4
Molecular Weight323.17 g/mol
Exact Mass322.02
IUPAC NameN-(azetidin-3-yl)-6-(5-bromo-2-fluorophenyl)pyridazin-3-amine
SMILESFc1ccc(Br)cc1-c1ccc(NC2CNC2)nn1
InChIInChI=1S/C13H12BrFN4/c14-8-1-2-11(15)10(5-8)12-3-4-13(19-18-12)17-9-6-16-7-9/h1-5,9,16H,6-7H2,(H,17,19)
InChIKeyGMEFZFDMSOQZOE-UHFFFAOYSA-N
XLogP2.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-6-(5-bromo-2-fluorophenyl)pyridazin-3-amine?
The IUPAC name of N-(azetidin-3-yl)-6-(5-bromo-2-fluorophenyl)pyridazin-3-amine (CID 116970953) is N-(azetidin-3-yl)-6-(5-bromo-2-fluorophenyl)pyridazin-3-amine.
What is the SMILES notation for N-(azetidin-3-yl)-6-(5-bromo-2-fluorophenyl)pyridazin-3-amine?
The canonical SMILES for N-(azetidin-3-yl)-6-(5-bromo-2-fluorophenyl)pyridazin-3-amine is Fc1ccc(Br)cc1-c1ccc(NC2CNC2)nn1.
What is the InChIKey of N-(azetidin-3-yl)-6-(5-bromo-2-fluorophenyl)pyridazin-3-amine?
The InChIKey is GMEFZFDMSOQZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN4/c14-8-1-2-11(15)10(5-8)12-3-4-13(19-18-12)17-9-6-16-7-9/h1-5,9,16H,6-7H2,(H,17,19).
What are the key properties of N-(azetidin-3-yl)-6-(5-bromo-2-fluorophenyl)pyridazin-3-amine?
N-(azetidin-3-yl)-6-(5-bromo-2-fluorophenyl)pyridazin-3-amine has a molecular weight of 323.17 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-6-(5-bromo-2-fluorophenyl)pyridazin-3-amine is sourced from PubChem (CID 116970953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).