6-(4-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]pyridazin-3-amine

C21H20FN3O — CID 133353321

IUPAC6-(4-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]pyridazin-3-amine
SMILESFc1ccc(-c2ccc(NCC3CCOC3c3ccccc3)nn2)cc1
InChIInChI=1S/C21H20FN3O/c22-18-8-6-15(7-9-18)19-10-11-20(25-24-19)23-14-17-12-13-26-21(17)16-4-2-1-3-5-16/h1-11,17,21H,12-14H2,(H,23,25)
InChIKeyHDJAMKPNWJQPDL-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.47
Rot. Bonds5

About 6-(4-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]pyridazin-3-amine

6-(4-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]pyridazin-3-amine (PubChem CID 133353321) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]pyridazin-3-amine
PubChem CID133353321
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name6-(4-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]pyridazin-3-amine
SMILESFc1ccc(-c2ccc(NCC3CCOC3c3ccccc3)nn2)cc1
InChIInChI=1S/C21H20FN3O/c22-18-8-6-15(7-9-18)19-10-11-20(25-24-19)23-14-17-12-13-26-21(17)16-4-2-1-3-5-16/h1-11,17,21H,12-14H2,(H,23,25)
InChIKeyHDJAMKPNWJQPDL-UHFFFAOYSA-N
XLogP4.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine
CID 29140335
N-(2-cyclopropyloxan-4-yl)-6-(4-fluorophenyl)pyridazin-3-amine
CID 133473519
3-(2-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133353323
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6-(4-fluorophenyl)pyridazin-3-amine
CID 133399616
6-chloro-4-N-[(2-phenyloxolan-3-yl)methyl]pyrimidine-2,4-diamine
CID 133353479
[2-(4-fluorophenyl)oxolan-3-yl]methanamine;hydrochloride
CID 122360291
3-phenyl-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 47983521
N-methyl-1-[2-(4-phenylphenyl)oxolan-3-yl]methanamine
CID 79367575
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(4-fluorophenyl)pyridazin-3-amine
CID 10949178
6-(4-bromophenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridazin-3-amine
CID 29126982
N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 120513608
5-phenyl-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133353393

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]pyridazin-3-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]pyridazin-3-amine (CID 133353321) is 6-(4-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]pyridazin-3-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]pyridazin-3-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]pyridazin-3-amine is Fc1ccc(-c2ccc(NCC3CCOC3c3ccccc3)nn2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]pyridazin-3-amine?
The InChIKey is HDJAMKPNWJQPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c22-18-8-6-15(7-9-18)19-10-11-20(25-24-19)23-14-17-12-13-26-21(17)16-4-2-1-3-5-16/h1-11,17,21H,12-14H2,(H,23,25).
What are the key properties of 6-(4-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]pyridazin-3-amine?
6-(4-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]pyridazin-3-amine has a molecular weight of 349.41 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]pyridazin-3-amine is sourced from PubChem (CID 133353321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).