1-methyl-5-phenyl-3-[2-(trifluoromethyl)phenyl]pyridazin-4-one

C18H13F3N2O — CID 21446925

IUPAC1-methyl-5-phenyl-3-[2-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESCn1cc(-c2ccccc2)c(=O)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C18H13F3N2O/c1-23-11-14(12-7-3-2-4-8-12)17(24)16(22-23)13-9-5-6-10-15(13)18(19,20)21/h2-11H,1H3
InChIKeyMEMOMWRMPCKQRW-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.13
Rot. Bonds2

About 1-methyl-5-phenyl-3-[2-(trifluoromethyl)phenyl]pyridazin-4-one

1-methyl-5-phenyl-3-[2-(trifluoromethyl)phenyl]pyridazin-4-one (PubChem CID 21446925) has the molecular formula C18H13F3N2O and a molecular weight of 330.31 g/mol. Its IUPAC name is 1-methyl-5-phenyl-3-[2-(trifluoromethyl)phenyl]pyridazin-4-one.

Molecular Properties

Compound Name1-methyl-5-phenyl-3-[2-(trifluoromethyl)phenyl]pyridazin-4-one
PubChem CID21446925
Molecular FormulaC18H13F3N2O
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Name1-methyl-5-phenyl-3-[2-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESCn1cc(-c2ccccc2)c(=O)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C18H13F3N2O/c1-23-11-14(12-7-3-2-4-8-12)17(24)16(22-23)13-9-5-6-10-15(13)18(19,20)21/h2-11H,1H3
InChIKeyMEMOMWRMPCKQRW-UHFFFAOYSA-N
XLogP4.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenyl-3-[2-(trifluoromethyl)phenyl]pyridazin-4-one?
The IUPAC name of 1-methyl-5-phenyl-3-[2-(trifluoromethyl)phenyl]pyridazin-4-one (CID 21446925) is 1-methyl-5-phenyl-3-[2-(trifluoromethyl)phenyl]pyridazin-4-one.
What is the SMILES notation for 1-methyl-5-phenyl-3-[2-(trifluoromethyl)phenyl]pyridazin-4-one?
The canonical SMILES for 1-methyl-5-phenyl-3-[2-(trifluoromethyl)phenyl]pyridazin-4-one is Cn1cc(-c2ccccc2)c(=O)c(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 1-methyl-5-phenyl-3-[2-(trifluoromethyl)phenyl]pyridazin-4-one?
The InChIKey is MEMOMWRMPCKQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O/c1-23-11-14(12-7-3-2-4-8-12)17(24)16(22-23)13-9-5-6-10-15(13)18(19,20)21/h2-11H,1H3.
What are the key properties of 1-methyl-5-phenyl-3-[2-(trifluoromethyl)phenyl]pyridazin-4-one?
1-methyl-5-phenyl-3-[2-(trifluoromethyl)phenyl]pyridazin-4-one has a molecular weight of 330.31 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenyl-3-[2-(trifluoromethyl)phenyl]pyridazin-4-one is sourced from PubChem (CID 21446925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).