2-(4-fluorophenyl)-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide

C18H19FN6O — CID 134796584

IUPAC2-(4-fluorophenyl)-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide
SMILESCc1nnc2ccc(N3CCC(NC(=O)Cc4ccc(F)cc4)C3)nn12
InChIInChI=1S/C18H19FN6O/c1-12-21-22-16-6-7-17(23-25(12)16)24-9-8-15(11-24)20-18(26)10-13-2-4-14(19)5-3-13/h2-7,15H,8-11H2,1H3,(H,20,26)
InChIKeyUGWKGFZJKWMPBM-UHFFFAOYSA-N
MW354.39 g/mol
LogP1.51
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide

2-(4-fluorophenyl)-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide (PubChem CID 134796584) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide
PubChem CID134796584
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name2-(4-fluorophenyl)-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide
SMILESCc1nnc2ccc(N3CCC(NC(=O)Cc4ccc(F)cc4)C3)nn12
InChIInChI=1S/C18H19FN6O/c1-12-21-22-16-6-7-17(23-25(12)16)24-9-8-15(11-24)20-18(26)10-13-2-4-14(19)5-3-13/h2-7,15H,8-11H2,1H3,(H,20,26)
InChIKeyUGWKGFZJKWMPBM-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide (CID 134796584) is 2-(4-fluorophenyl)-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide is Cc1nnc2ccc(N3CCC(NC(=O)Cc4ccc(F)cc4)C3)nn12.
What is the InChIKey of 2-(4-fluorophenyl)-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is UGWKGFZJKWMPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O/c1-12-21-22-16-6-7-17(23-25(12)16)24-9-8-15(11-24)20-18(26)10-13-2-4-14(19)5-3-13/h2-7,15H,8-11H2,1H3,(H,20,26).
What are the key properties of 2-(4-fluorophenyl)-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide?
2-(4-fluorophenyl)-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 354.39 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 134796584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).