6-Methyl-3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyridazine

C19H15F3N2O — CID 76320180

IUPAC6-methyl-3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyridazine
SMILESCC1=CC(=C(N=N1)OCC2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F
InChIInChI=1S/C19H15F3N2O/c1-13-10-17(15-8-5-9-16(11-15)19(20,21)22)18(24-23-13)25-12-14-6-3-2-4-7-14/h2-11H,12H2,1H3
InChIKeyNXPOMVDJHZUQQI-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.60
Rot. Bonds4

About 6-Methyl-3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyridazine

6-Methyl-3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyridazine (PubChem CID 76320180) has the molecular formula C19H15F3N2O and a molecular weight of 344.30 g/mol. Its IUPAC name is 6-methyl-3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyridazine.

Molecular Properties

Compound Name6-Methyl-3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyridazine
PubChem CID76320180
Molecular FormulaC19H15F3N2O
Molecular Weight344.30 g/mol
Exact Mass344.11
IUPAC Name6-methyl-3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyridazine
SMILESCC1=CC(=C(N=N1)OCC2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F
InChIInChI=1S/C19H15F3N2O/c1-13-10-17(15-8-5-9-16(11-15)19(20,21)22)18(24-23-13)25-12-14-6-3-2-4-7-14/h2-11H,12H2,1H3
InChIKeyNXPOMVDJHZUQQI-UHFFFAOYSA-N
XLogP4.60
TPSA35.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity412

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-Methyl-3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyridazine?
The IUPAC name of 6-Methyl-3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyridazine (CID 76320180) is 6-methyl-3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyridazine.
What is the SMILES notation for 6-Methyl-3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyridazine?
The canonical SMILES for 6-Methyl-3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyridazine is CC1=CC(=C(N=N1)OCC2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F.
What is the InChIKey of 6-Methyl-3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyridazine?
The InChIKey is NXPOMVDJHZUQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O/c1-13-10-17(15-8-5-9-16(11-15)19(20,21)22)18(24-23-13)25-12-14-6-3-2-4-7-14/h2-11H,12H2,1H3.
What are the key properties of 6-Methyl-3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyridazine?
6-Methyl-3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyridazine has a molecular weight of 344.30 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-Methyl-3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyridazine is sourced from PubChem (CID 76320180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).