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

C17H19FN6O — CID 133443774

IUPAC2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylpentanamide
SMILESCCC(C)C(Nc1ccc2nnc(-c3ccccc3F)n2n1)C(N)=O
InChIInChI=1S/C17H19FN6O/c1-3-10(2)15(16(19)25)20-13-8-9-14-21-22-17(24(14)23-13)11-6-4-5-7-12(11)18/h4-10,15H,3H2,1-2H3,(H2,19,25)(H,20,23)
InChIKeyFTLRZCZKJXGNPS-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.24
Rot. Bonds6

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

2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylpentanamide (PubChem CID 133443774) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylpentanamide.

Molecular Properties

Compound Name2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylpentanamide
PubChem CID133443774
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC Name2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylpentanamide
SMILESCCC(C)C(Nc1ccc2nnc(-c3ccccc3F)n2n1)C(N)=O
InChIInChI=1S/C17H19FN6O/c1-3-10(2)15(16(19)25)20-13-8-9-14-21-22-17(24(14)23-13)11-6-4-5-7-12(11)18/h4-10,15H,3H2,1-2H3,(H2,19,25)(H,20,23)
InChIKeyFTLRZCZKJXGNPS-UHFFFAOYSA-N
XLogP2.24
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylpentanamide with MolForge

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Related Compounds

(2S)-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol
CID 133434777
ethyl 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]butanoate
CID 86701046
1-N-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-N-phenylpropane-1,2-diamine
CID 133429685
5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-4-phenylpentan-2-ol
CID 133430213
N-[4-(ethoxymethyl)phenyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133428327
N-benzyl-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
CID 47072300
2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylbutanamide
CID 133443835
N-[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 133296185
N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133474592
[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclopentyl]methanol
CID 133429502
1-[2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-phenylethyl]pyrrolidin-2-one
CID 166196191
ethyl 3-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butanoate
CID 133430408

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylpentanamide?
The IUPAC name of 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylpentanamide (CID 133443774) is 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylpentanamide.
What is the SMILES notation for 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylpentanamide?
The canonical SMILES for 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylpentanamide is CCC(C)C(Nc1ccc2nnc(-c3ccccc3F)n2n1)C(N)=O.
What is the InChIKey of 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylpentanamide?
The InChIKey is FTLRZCZKJXGNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c1-3-10(2)15(16(19)25)20-13-8-9-14-21-22-17(24(14)23-13)11-6-4-5-7-12(11)18/h4-10,15H,3H2,1-2H3,(H2,19,25)(H,20,23).
What are the key properties of 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylpentanamide?
2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylpentanamide has a molecular weight of 342.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylpentanamide is sourced from PubChem (CID 133443774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).