1-[6-(3-fluoro-4-methoxyphenyl)pyridazin-3-yl]-N-methylmethanamine

C13H14FN3O — CID 82295745

IUPAC1-[6-(3-fluoro-4-methoxyphenyl)pyridazin-3-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(OC)c(F)c2)nn1
InChIInChI=1S/C13H14FN3O/c1-15-8-10-4-5-12(17-16-10)9-3-6-13(18-2)11(14)7-9/h3-7,15H,8H2,1-2H3
InChIKeyQSFHMNPSODQITQ-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.01
Rot. Bonds4

About 1-[6-(3-fluoro-4-methoxyphenyl)pyridazin-3-yl]-N-methylmethanamine

1-[6-(3-fluoro-4-methoxyphenyl)pyridazin-3-yl]-N-methylmethanamine (PubChem CID 82295745) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 1-[6-(3-fluoro-4-methoxyphenyl)pyridazin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(3-fluoro-4-methoxyphenyl)pyridazin-3-yl]-N-methylmethanamine
PubChem CID82295745
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name1-[6-(3-fluoro-4-methoxyphenyl)pyridazin-3-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(OC)c(F)c2)nn1
InChIInChI=1S/C13H14FN3O/c1-15-8-10-4-5-12(17-16-10)9-3-6-13(18-2)11(14)7-9/h3-7,15H,8H2,1-2H3
InChIKeyQSFHMNPSODQITQ-UHFFFAOYSA-N
XLogP2.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-fluoro-4-methoxyphenyl)pyridazin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(3-fluoro-4-methoxyphenyl)pyridazin-3-yl]-N-methylmethanamine (CID 82295745) is 1-[6-(3-fluoro-4-methoxyphenyl)pyridazin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(3-fluoro-4-methoxyphenyl)pyridazin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(3-fluoro-4-methoxyphenyl)pyridazin-3-yl]-N-methylmethanamine is CNCc1ccc(-c2ccc(OC)c(F)c2)nn1.
What is the InChIKey of 1-[6-(3-fluoro-4-methoxyphenyl)pyridazin-3-yl]-N-methylmethanamine?
The InChIKey is QSFHMNPSODQITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-15-8-10-4-5-12(17-16-10)9-3-6-13(18-2)11(14)7-9/h3-7,15H,8H2,1-2H3.
What are the key properties of 1-[6-(3-fluoro-4-methoxyphenyl)pyridazin-3-yl]-N-methylmethanamine?
1-[6-(3-fluoro-4-methoxyphenyl)pyridazin-3-yl]-N-methylmethanamine has a molecular weight of 247.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-fluoro-4-methoxyphenyl)pyridazin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 82295745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).