6-(2-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine

C18H14F3N3O — CID 6411208

IUPAC6-(2-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCOc1ccccc1-c1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C18H14F3N3O/c1-25-16-8-3-2-7-14(16)15-9-10-17(24-23-15)22-13-6-4-5-12(11-13)18(19,20)21/h2-11H,1H3,(H,22,24)
InChIKeyKSVOVZKHJLRDFP-UHFFFAOYSA-N
MW345.32 g/mol
LogP4.91
Rot. Bonds4

About 6-(2-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine

6-(2-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (PubChem CID 6411208) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
PubChem CID6411208
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name6-(2-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCOc1ccccc1-c1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C18H14F3N3O/c1-25-16-8-3-2-7-14(16)15-9-10-17(24-23-15)22-13-6-4-5-12(11-13)18(19,20)21/h2-11H,1H3,(H,22,24)
InChIKeyKSVOVZKHJLRDFP-UHFFFAOYSA-N
XLogP4.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The IUPAC name of 6-(2-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (CID 6411208) is 6-(2-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.
What is the SMILES notation for 6-(2-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The canonical SMILES for 6-(2-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is COc1ccccc1-c1ccc(Nc2cccc(C(F)(F)F)c2)nn1.
What is the InChIKey of 6-(2-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The InChIKey is KSVOVZKHJLRDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c1-25-16-8-3-2-7-14(16)15-9-10-17(24-23-15)22-13-6-4-5-12(11-13)18(19,20)21/h2-11H,1H3,(H,22,24).
What are the key properties of 6-(2-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
6-(2-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine has a molecular weight of 345.32 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is sourced from PubChem (CID 6411208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).