4-benzyl-6-methylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyridazine

C19H15F3N2 — CID 126515684

IUPAC4-benzyl-6-methylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyridazine
SMILESC=C1C=C(Cc2ccccc2)C(c2cccc(C(F)(F)F)c2)=NN1
InChIInChI=1S/C19H15F3N2/c1-13-10-16(11-14-6-3-2-4-7-14)18(24-23-13)15-8-5-9-17(12-15)19(20,21)22/h2-10,12,23H,1,11H2
InChIKeyXKXBRENDOADDOC-UHFFFAOYSA-N
MW328.34 g/mol
LogP4.70
Rot. Bonds3

About 4-benzyl-6-methylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyridazine

4-benzyl-6-methylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyridazine (PubChem CID 126515684) has the molecular formula C19H15F3N2 and a molecular weight of 328.34 g/mol. Its IUPAC name is 4-benzyl-6-methylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyridazine.

Molecular Properties

Compound Name4-benzyl-6-methylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyridazine
PubChem CID126515684
Molecular FormulaC19H15F3N2
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name4-benzyl-6-methylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyridazine
SMILESC=C1C=C(Cc2ccccc2)C(c2cccc(C(F)(F)F)c2)=NN1
InChIInChI=1S/C19H15F3N2/c1-13-10-16(11-14-6-3-2-4-7-14)18(24-23-13)15-8-5-9-17(12-15)19(20,21)22/h2-10,12,23H,1,11H2
InChIKeyXKXBRENDOADDOC-UHFFFAOYSA-N
XLogP4.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6-methylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyridazine?
The IUPAC name of 4-benzyl-6-methylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyridazine (CID 126515684) is 4-benzyl-6-methylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyridazine.
What is the SMILES notation for 4-benzyl-6-methylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyridazine?
The canonical SMILES for 4-benzyl-6-methylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyridazine is C=C1C=C(Cc2ccccc2)C(c2cccc(C(F)(F)F)c2)=NN1.
What is the InChIKey of 4-benzyl-6-methylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyridazine?
The InChIKey is XKXBRENDOADDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2/c1-13-10-16(11-14-6-3-2-4-7-14)18(24-23-13)15-8-5-9-17(12-15)19(20,21)22/h2-10,12,23H,1,11H2.
What are the key properties of 4-benzyl-6-methylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyridazine?
4-benzyl-6-methylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyridazine has a molecular weight of 328.34 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6-methylidene-3-[3-(trifluoromethyl)phenyl]-1H-pyridazine is sourced from PubChem (CID 126515684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).