6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine

C15H16BrFN4 — CID 167759809

IUPAC6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine
SMILESNc1ccc(C2CCCN2Cc2ccc(F)cc2Br)nn1
InChIInChI=1S/C15H16BrFN4/c16-12-8-11(17)4-3-10(12)9-21-7-1-2-14(21)13-5-6-15(18)20-19-13/h3-6,8,14H,1-2,7,9H2,(H2,18,20)
InChIKeyYLPUECVLGPPPJU-UHFFFAOYSA-N
MW351.22 g/mol
LogP3.30
Rot. Bonds3

About 6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine

6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine (PubChem CID 167759809) has the molecular formula C15H16BrFN4 and a molecular weight of 351.22 g/mol. Its IUPAC name is 6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine
PubChem CID167759809
Molecular FormulaC15H16BrFN4
Molecular Weight351.22 g/mol
Exact Mass350.05
IUPAC Name6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine
SMILESNc1ccc(C2CCCN2Cc2ccc(F)cc2Br)nn1
InChIInChI=1S/C15H16BrFN4/c16-12-8-11(17)4-3-10(12)9-21-7-1-2-14(21)13-5-6-15(18)20-19-13/h3-6,8,14H,1-2,7,9H2,(H2,18,20)
InChIKeyYLPUECVLGPPPJU-UHFFFAOYSA-N
XLogP3.30
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119926966
1-[(2-bromo-4-fluorophenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 63462733
6-(1-ethylpiperidin-2-yl)pyridazin-3-amine
CID 117105891
2-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 124941847
6-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyridazin-3-amine
CID 167797903
2-[(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 124955216
6-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]pyridazin-3-amine
CID 154762799
1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine
CID 60711879
2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-6-methylpyrazine
CID 110114099
1-[(2-bromo-4-fluorophenyl)methyl]azepane
CID 60711853
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-3-bromoaniline
CID 102725473
N-[(2-bromo-4-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 54967491

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine?
The IUPAC name of 6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine (CID 167759809) is 6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine.
What is the SMILES notation for 6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine?
The canonical SMILES for 6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine is Nc1ccc(C2CCCN2Cc2ccc(F)cc2Br)nn1.
What is the InChIKey of 6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine?
The InChIKey is YLPUECVLGPPPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN4/c16-12-8-11(17)4-3-10(12)9-21-7-1-2-14(21)13-5-6-15(18)20-19-13/h3-6,8,14H,1-2,7,9H2,(H2,18,20).
What are the key properties of 6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine?
6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine has a molecular weight of 351.22 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine is sourced from PubChem (CID 167759809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).