1-[3-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-1-yl]propan-1-one

C18H19FN6O — CID 166246025

IUPAC1-[3-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Nc2ccc3nnc(-c4cccc(F)c4)n3n2)C1
InChIInChI=1S/C18H19FN6O/c1-2-17(26)24-9-8-14(11-24)20-15-6-7-16-21-22-18(25(16)23-15)12-4-3-5-13(19)10-12/h3-7,10,14H,2,8-9,11H2,1H3,(H,20,23)
InChIKeyWZOCWNPYPWHYOI-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.35
Rot. Bonds4

About 1-[3-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-1-yl]propan-1-one

1-[3-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-1-yl]propan-1-one (PubChem CID 166246025) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is 1-[3-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
PubChem CID166246025
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name1-[3-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Nc2ccc3nnc(-c4cccc(F)c4)n3n2)C1
InChIInChI=1S/C18H19FN6O/c1-2-17(26)24-9-8-14(11-24)20-15-6-7-16-21-22-18(25(16)23-15)12-4-3-5-13(19)10-12/h3-7,10,14H,2,8-9,11H2,1H3,(H,20,23)
InChIKeyWZOCWNPYPWHYOI-UHFFFAOYSA-N
XLogP2.35
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-1-yl]propan-1-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 1-[3-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-1-yl]propan-1-one (CID 166246025) is 1-[3-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC(Nc2ccc3nnc(-c4cccc(F)c4)n3n2)C1.
What is the InChIKey of 1-[3-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-1-yl]propan-1-one?
The InChIKey is WZOCWNPYPWHYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O/c1-2-17(26)24-9-8-14(11-24)20-15-6-7-16-21-22-18(25(16)23-15)12-4-3-5-13(19)10-12/h3-7,10,14H,2,8-9,11H2,1H3,(H,20,23).
What are the key properties of 1-[3-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-1-yl]propan-1-one?
1-[3-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-1-yl]propan-1-one has a molecular weight of 354.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 166246025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).