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

C13H12FN5 — CID 116822333

IUPAC2-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
SMILESNCCc1nnc2ccc(-c3cccc(F)c3)nn12
InChIInChI=1S/C13H12FN5/c14-10-3-1-2-9(8-10)11-4-5-12-16-17-13(6-7-15)19(12)18-11/h1-5,8H,6-7,15H2
InChIKeyXQLVKWJRRMKWGQ-UHFFFAOYSA-N
MW257.27 g/mol
LogP1.43
Rot. Bonds3

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

2-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine (PubChem CID 116822333) has the molecular formula C13H12FN5 and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
PubChem CID116822333
Molecular FormulaC13H12FN5
Molecular Weight257.27 g/mol
Exact Mass257.11
IUPAC Name2-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
SMILESNCCc1nnc2ccc(-c3cccc(F)c3)nn12
InChIInChI=1S/C13H12FN5/c14-10-3-1-2-9(8-10)11-4-5-12-16-17-13(6-7-15)19(12)18-11/h1-5,8H,6-7,15H2
InChIKeyXQLVKWJRRMKWGQ-UHFFFAOYSA-N
XLogP1.43
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67524771
2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine
CID 82167237
3-(chloromethyl)-6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 12726862
2-[6-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 116822321
4-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-amine
CID 91185091
2-(6-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine
CID 116822338
[4-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 126672864
6-[difluoro-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 59320421
[6-(3H-benzimidazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanamine
CID 116822398
3-[(4-fluorophenyl)methylsulfanyl]-6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 7531680
2-[2-(3-fluorophenyl)phenyl]ethanamine;hydrochloride
CID 164885898
[5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine
CID 82207879

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine?
The IUPAC name of 2-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine (CID 116822333) is 2-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine.
What is the SMILES notation for 2-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine?
The canonical SMILES for 2-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine is NCCc1nnc2ccc(-c3cccc(F)c3)nn12.
What is the InChIKey of 2-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine?
The InChIKey is XQLVKWJRRMKWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5/c14-10-3-1-2-9(8-10)11-4-5-12-16-17-13(6-7-15)19(12)18-11/h1-5,8H,6-7,15H2.
What are the key properties of 2-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine?
2-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine has a molecular weight of 257.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine is sourced from PubChem (CID 116822333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).