3-(4-fluorophenyl)-6-(3-fluoro-3-pyridin-3-ylazetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

C19H14F2N6 — CID 166360327

IUPAC3-(4-fluorophenyl)-6-(3-fluoro-3-pyridin-3-ylazetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1ccc(-c2nnc3ccc(N4CC(F)(c5cccnc5)C4)nn23)cc1
InChIInChI=1S/C19H14F2N6/c20-15-5-3-13(4-6-15)18-24-23-16-7-8-17(25-27(16)18)26-11-19(21,12-26)14-2-1-9-22-10-14/h1-10H,11-12H2
InChIKeyNHFLKMJDERNPQJ-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.01
Rot. Bonds3

About 3-(4-fluorophenyl)-6-(3-fluoro-3-pyridin-3-ylazetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

3-(4-fluorophenyl)-6-(3-fluoro-3-pyridin-3-ylazetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 166360327) has the molecular formula C19H14F2N6 and a molecular weight of 364.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-(3-fluoro-3-pyridin-3-ylazetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-(3-fluoro-3-pyridin-3-ylazetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID166360327
Molecular FormulaC19H14F2N6
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name3-(4-fluorophenyl)-6-(3-fluoro-3-pyridin-3-ylazetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1ccc(-c2nnc3ccc(N4CC(F)(c5cccnc5)C4)nn23)cc1
InChIInChI=1S/C19H14F2N6/c20-15-5-3-13(4-6-15)18-24-23-16-7-8-17(25-27(16)18)26-11-19(21,12-26)14-2-1-9-22-10-14/h1-10H,11-12H2
InChIKeyNHFLKMJDERNPQJ-UHFFFAOYSA-N
XLogP3.01
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 122175944
6-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 122175947
(3-fluorophenyl)-[4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methanone
CID 122175954
(4-fluorophenyl)-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone
CID 134801603
4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-propan-2-ylpiperazine-1-carbothioamide
CID 6622899
6-[(4-fluorophenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190719
6-(4-fluorophenyl)-2-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 154835728
1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 50783103
3-(3-fluorophenyl)-6-[3-methoxy-3-(3-methyltriazol-4-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166260507
3-(3-fluoroazetidin-3-yl)pyridine
CID 112563486
[(2S,4R)-1-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-4-methylpiperidin-2-yl]methanamine
CID 167774327
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 94546899

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-(3-fluoro-3-pyridin-3-ylazetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(4-fluorophenyl)-6-(3-fluoro-3-pyridin-3-ylazetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 166360327) is 3-(4-fluorophenyl)-6-(3-fluoro-3-pyridin-3-ylazetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(4-fluorophenyl)-6-(3-fluoro-3-pyridin-3-ylazetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(4-fluorophenyl)-6-(3-fluoro-3-pyridin-3-ylazetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is Fc1ccc(-c2nnc3ccc(N4CC(F)(c5cccnc5)C4)nn23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-6-(3-fluoro-3-pyridin-3-ylazetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is NHFLKMJDERNPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6/c20-15-5-3-13(4-6-15)18-24-23-16-7-8-17(25-27(16)18)26-11-19(21,12-26)14-2-1-9-22-10-14/h1-10H,11-12H2.
What are the key properties of 3-(4-fluorophenyl)-6-(3-fluoro-3-pyridin-3-ylazetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-(4-fluorophenyl)-6-(3-fluoro-3-pyridin-3-ylazetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 364.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-(3-fluoro-3-pyridin-3-ylazetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 166360327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).