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

C13H12FN5 — CID 94781728

IUPAC(1R)-1-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
SMILESC[C@@H](N)c1nnc2ccc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C13H12FN5/c1-8(15)13-17-16-12-7-6-11(18-19(12)13)9-2-4-10(14)5-3-9/h2-8H,15H2,1H3/t8-/m1/s1
InChIKeyGLSXSZSLXDXDIP-MRVPVSSYSA-N
MW257.27 g/mol
LogP1.95
Rot. Bonds2

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

(1R)-1-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine (PubChem CID 94781728) has the molecular formula C13H12FN5 and a molecular weight of 257.27 g/mol. Its IUPAC name is (1R)-1-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
PubChem CID94781728
Molecular FormulaC13H12FN5
Molecular Weight257.27 g/mol
Exact Mass257.11
IUPAC Name(1R)-1-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
SMILESC[C@@H](N)c1nnc2ccc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C13H12FN5/c1-8(15)13-17-16-12-7-6-11(18-19(12)13)9-2-4-10(14)5-3-9/h2-8H,15H2,1H3/t8-/m1/s1
InChIKeyGLSXSZSLXDXDIP-MRVPVSSYSA-N
XLogP1.95
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 102567904
1-[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 82167159
(1R)-1-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine
CID 99982532
(1S)-2-methyl-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
CID 99982506
(1S)-1-[6-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 99982075
3-bromo-6-(4-fluorophenyl)-2-methylimidazo[1,2-b]pyridazine
CID 116854941
6-(4-aminophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 70448780
1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]ethanamine
CID 114420287
2-methyl-1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
CID 62042380
6-(4-chlorophenyl)-3-[(4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 8608004
2-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1-piperidin-1-ylethanone
CID 7531645
1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanol
CID 76618478

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine?
The IUPAC name of (1R)-1-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine (CID 94781728) is (1R)-1-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine.
What is the SMILES notation for (1R)-1-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine?
The canonical SMILES for (1R)-1-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine is C[C@@H](N)c1nnc2ccc(-c3ccc(F)cc3)nn12.
What is the InChIKey of (1R)-1-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine?
The InChIKey is GLSXSZSLXDXDIP-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12FN5/c1-8(15)13-17-16-12-7-6-11(18-19(12)13)9-2-4-10(14)5-3-9/h2-8H,15H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine?
(1R)-1-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine has a molecular weight of 257.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine is sourced from PubChem (CID 94781728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).