2-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenyl-4-(3,4,5-trifluoroanilino)pyridazin-3-one

C21H16F3N5O2 — CID 11293252

IUPAC2-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenyl-4-(3,4,5-trifluoroanilino)pyridazin-3-one
SMILESCCn1nc(-c2ccccc2)c(-c2nnc(C)o2)c(Nc2cc(F)c(F)c(F)c2)c1=O
InChIInChI=1S/C21H16F3N5O2/c1-3-29-21(30)19(25-13-9-14(22)17(24)15(23)10-13)16(20-27-26-11(2)31-20)18(28-29)12-7-5-4-6-8-12/h4-10,25H,3H2,1-2H3
InChIKeyANAZDCIIOKPEKT-UHFFFAOYSA-N
MW427.39 g/mol
LogP4.45
Rot. Bonds5

About 2-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenyl-4-(3,4,5-trifluoroanilino)pyridazin-3-one

2-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenyl-4-(3,4,5-trifluoroanilino)pyridazin-3-one (PubChem CID 11293252) has the molecular formula C21H16F3N5O2 and a molecular weight of 427.39 g/mol. Its IUPAC name is 2-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenyl-4-(3,4,5-trifluoroanilino)pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenyl-4-(3,4,5-trifluoroanilino)pyridazin-3-one
PubChem CID11293252
Molecular FormulaC21H16F3N5O2
Molecular Weight427.39 g/mol
Exact Mass427.13
IUPAC Name2-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenyl-4-(3,4,5-trifluoroanilino)pyridazin-3-one
SMILESCCn1nc(-c2ccccc2)c(-c2nnc(C)o2)c(Nc2cc(F)c(F)c(F)c2)c1=O
InChIInChI=1S/C21H16F3N5O2/c1-3-29-21(30)19(25-13-9-14(22)17(24)15(23)10-13)16(20-27-26-11(2)31-20)18(28-29)12-7-5-4-6-8-12/h4-10,25H,3H2,1-2H3
InChIKeyANAZDCIIOKPEKT-UHFFFAOYSA-N
XLogP4.45
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenyl-4-(3,4,5-trifluoroanilino)pyridazin-3-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 2-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenyl-4-(3,4,5-trifluoroanilino)pyridazin-3-one?
The IUPAC name of 2-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenyl-4-(3,4,5-trifluoroanilino)pyridazin-3-one (CID 11293252) is 2-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenyl-4-(3,4,5-trifluoroanilino)pyridazin-3-one.
What is the SMILES notation for 2-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenyl-4-(3,4,5-trifluoroanilino)pyridazin-3-one?
The canonical SMILES for 2-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenyl-4-(3,4,5-trifluoroanilino)pyridazin-3-one is CCn1nc(-c2ccccc2)c(-c2nnc(C)o2)c(Nc2cc(F)c(F)c(F)c2)c1=O.
What is the InChIKey of 2-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenyl-4-(3,4,5-trifluoroanilino)pyridazin-3-one?
The InChIKey is ANAZDCIIOKPEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O2/c1-3-29-21(30)19(25-13-9-14(22)17(24)15(23)10-13)16(20-27-26-11(2)31-20)18(28-29)12-7-5-4-6-8-12/h4-10,25H,3H2,1-2H3.
What are the key properties of 2-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenyl-4-(3,4,5-trifluoroanilino)pyridazin-3-one?
2-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenyl-4-(3,4,5-trifluoroanilino)pyridazin-3-one has a molecular weight of 427.39 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenyl-4-(3,4,5-trifluoroanilino)pyridazin-3-one is sourced from PubChem (CID 11293252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).