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

C17H19FN6 — CID 122175947

IUPAC6-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCN1CCN(c2ccc3nnc(-c4ccc(F)cc4)n3n2)CC1
InChIInChI=1S/C17H19FN6/c1-2-22-9-11-23(12-10-22)16-8-7-15-19-20-17(24(15)21-16)13-3-5-14(18)6-4-13/h3-8H,2,9-12H2,1H3
InChIKeyAPEAEYABDOZDOV-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.07
Rot. Bonds3

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

6-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 122175947) has the molecular formula C17H19FN6 and a molecular weight of 326.38 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID122175947
Molecular FormulaC17H19FN6
Molecular Weight326.38 g/mol
Exact Mass326.17
IUPAC Name6-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCN1CCN(c2ccc3nnc(-c4ccc(F)cc4)n3n2)CC1
InChIInChI=1S/C17H19FN6/c1-2-22-9-11-23(12-10-22)16-8-7-15-19-20-17(24(15)21-16)13-3-5-14(18)6-4-13/h3-8H,2,9-12H2,1H3
InChIKeyAPEAEYABDOZDOV-UHFFFAOYSA-N
XLogP2.07
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.07
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-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 39036075
4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-propan-2-ylpiperazine-1-carbothioamide
CID 6622899
3-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 29131696
N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carbothioamide
CID 46259771
(3-fluorophenyl)-[4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methanone
CID 122175954
[(2S,4R)-1-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-4-methylpiperidin-2-yl]methanamine
CID 167774327
(4-fluorophenyl)-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone
CID 134801603
3-(3,5-dichlorophenyl)-6-(4-propyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133312575
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
3-(4-fluorophenyl)-6-(3-fluoro-3-pyridin-3-ylazetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 166360327
1-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 25145504

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 122175947) is 6-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine is CCN1CCN(c2ccc3nnc(-c4ccc(F)cc4)n3n2)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is APEAEYABDOZDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6/c1-2-22-9-11-23(12-10-22)16-8-7-15-19-20-17(24(15)21-16)13-3-5-14(18)6-4-13/h3-8H,2,9-12H2,1H3.
What are the key properties of 6-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 326.38 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 122175947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).