6-methyl-3-prop-2-enoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

C15H13F3N2O2 — CID 3073148

IUPAC6-methyl-3-prop-2-enoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESC=CCOc1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O
InChIInChI=1S/C15H13F3N2O2/c1-3-7-22-14-13(21)8-10(2)20(19-14)12-6-4-5-11(9-12)15(16,17)18/h3-6,8-9H,1,7H2,2H3
InChIKeyMVNYDEJGIJIUPA-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.12
Rot. Bonds4

About 6-methyl-3-prop-2-enoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

6-methyl-3-prop-2-enoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one (PubChem CID 3073148) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 6-methyl-3-prop-2-enoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one.

Molecular Properties

Compound Name6-methyl-3-prop-2-enoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
PubChem CID3073148
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name6-methyl-3-prop-2-enoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESC=CCOc1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O
InChIInChI=1S/C15H13F3N2O2/c1-3-7-22-14-13(21)8-10(2)20(19-14)12-6-4-5-11(9-12)15(16,17)18/h3-6,8-9H,1,7H2,2H3
InChIKeyMVNYDEJGIJIUPA-UHFFFAOYSA-N
XLogP3.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-methyl-3-prop-2-enoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-prop-2-enoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The IUPAC name of 6-methyl-3-prop-2-enoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one (CID 3073148) is 6-methyl-3-prop-2-enoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one.
What is the SMILES notation for 6-methyl-3-prop-2-enoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The canonical SMILES for 6-methyl-3-prop-2-enoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one is C=CCOc1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O.
What is the InChIKey of 6-methyl-3-prop-2-enoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
The InChIKey is MVNYDEJGIJIUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-3-7-22-14-13(21)8-10(2)20(19-14)12-6-4-5-11(9-12)15(16,17)18/h3-6,8-9H,1,7H2,2H3.
What are the key properties of 6-methyl-3-prop-2-enoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one?
6-methyl-3-prop-2-enoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one has a molecular weight of 310.28 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-prop-2-enoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one is sourced from PubChem (CID 3073148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).