1-[6-(2-fluorophenoxy)pyridazin-3-yl]-N-methylmethanamine

C12H12FN3O — CID 62295720

IUPAC1-[6-(2-fluorophenoxy)pyridazin-3-yl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ccccc2F)nn1
InChIInChI=1S/C12H12FN3O/c1-14-8-9-6-7-12(16-15-9)17-11-5-3-2-4-10(11)13/h2-7,14H,8H2,1H3
InChIKeyALKVWPGTHDNCKK-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.13
Rot. Bonds4

About 1-[6-(2-fluorophenoxy)pyridazin-3-yl]-N-methylmethanamine

1-[6-(2-fluorophenoxy)pyridazin-3-yl]-N-methylmethanamine (PubChem CID 62295720) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 1-[6-(2-fluorophenoxy)pyridazin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(2-fluorophenoxy)pyridazin-3-yl]-N-methylmethanamine
PubChem CID62295720
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name1-[6-(2-fluorophenoxy)pyridazin-3-yl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2ccccc2F)nn1
InChIInChI=1S/C12H12FN3O/c1-14-8-9-6-7-12(16-15-9)17-11-5-3-2-4-10(11)13/h2-7,14H,8H2,1H3
InChIKeyALKVWPGTHDNCKK-UHFFFAOYSA-N
XLogP2.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-fluorophenoxy)pyridazin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(2-fluorophenoxy)pyridazin-3-yl]-N-methylmethanamine (CID 62295720) is 1-[6-(2-fluorophenoxy)pyridazin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(2-fluorophenoxy)pyridazin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(2-fluorophenoxy)pyridazin-3-yl]-N-methylmethanamine is CNCc1ccc(Oc2ccccc2F)nn1.
What is the InChIKey of 1-[6-(2-fluorophenoxy)pyridazin-3-yl]-N-methylmethanamine?
The InChIKey is ALKVWPGTHDNCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-14-8-9-6-7-12(16-15-9)17-11-5-3-2-4-10(11)13/h2-7,14H,8H2,1H3.
What are the key properties of 1-[6-(2-fluorophenoxy)pyridazin-3-yl]-N-methylmethanamine?
1-[6-(2-fluorophenoxy)pyridazin-3-yl]-N-methylmethanamine has a molecular weight of 233.25 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-fluorophenoxy)pyridazin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62295720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).