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

C20H18FN7 — CID 122175944

IUPAC3-(4-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1ccc(-c2nnc3ccc(N4CCN(c5ccccn5)CC4)nn23)cc1
InChIInChI=1S/C20H18FN7/c21-16-6-4-15(5-7-16)20-24-23-18-8-9-19(25-28(18)20)27-13-11-26(12-14-27)17-3-1-2-10-22-17/h1-10H,11-14H2
InChIKeyKQOUIXZWAIPIKF-UHFFFAOYSA-N
MW375.41 g/mol
LogP2.65
Rot. Bonds3

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

3-(4-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 122175944) has the molecular formula C20H18FN7 and a molecular weight of 375.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID122175944
Molecular FormulaC20H18FN7
Molecular Weight375.41 g/mol
Exact Mass375.16
IUPAC Name3-(4-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1ccc(-c2nnc3ccc(N4CCN(c5ccccn5)CC4)nn23)cc1
InChIInChI=1S/C20H18FN7/c21-16-6-4-15(5-7-16)20-24-23-18-8-9-19(25-28(18)20)27-13-11-26(12-14-27)17-3-1-2-10-22-17/h1-10H,11-14H2
InChIKeyKQOUIXZWAIPIKF-UHFFFAOYSA-N
XLogP2.65
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(4-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

3-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 5308432
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
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
6-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126893382
3-(4-fluorophenyl)-6-(3-fluoro-3-pyridin-3-ylazetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 166360327
4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-propan-2-ylpiperazine-1-carbothioamide
CID 6622899
3-(2-fluorophenyl)-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133330921
3-(2-fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 47072263
3-phenyl-6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 95298078
N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioamide
CID 46259771

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(4-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 122175944) is 3-(4-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(4-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(4-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is Fc1ccc(-c2nnc3ccc(N4CCN(c5ccccn5)CC4)nn23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is KQOUIXZWAIPIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7/c21-16-6-4-15(5-7-16)20-24-23-18-8-9-19(25-28(18)20)27-13-11-26(12-14-27)17-3-1-2-10-22-17/h1-10H,11-14H2.
What are the key properties of 3-(4-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-(4-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 375.41 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 122175944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).