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

C20H23FN6O — CID 127418137

IUPAC3-(2-fluorophenyl)-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1ccccc1-c1nnc2ccc(N3CCN(CC4CCOC4)CC3)nn12
InChIInChI=1S/C20H23FN6O/c21-17-4-2-1-3-16(17)20-23-22-18-5-6-19(24-27(18)20)26-10-8-25(9-11-26)13-15-7-12-28-14-15/h1-6,15H,7-14H2
InChIKeyAGPBZPILMJHFPS-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.09
Rot. Bonds4

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

3-(2-fluorophenyl)-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 127418137) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID127418137
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name3-(2-fluorophenyl)-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1ccccc1-c1nnc2ccc(N3CCN(CC4CCOC4)CC3)nn12
InChIInChI=1S/C20H23FN6O/c21-17-4-2-1-3-16(17)20-23-22-18-5-6-19(24-27(18)20)26-10-8-25(9-11-26)13-15-7-12-28-14-15/h1-6,15H,7-14H2
InChIKeyAGPBZPILMJHFPS-UHFFFAOYSA-N
XLogP2.09
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(2-fluorophenyl)-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

DPP-4 inhibitor 3
CID 155524302
3-Phenyl-6-(4-morpholinyl)-(1,2,4)triazolo(4,3-b)pyridazine
CID 1505512
6-[4-[2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 623376
1-{3-Methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 5308225
N-benzyl-N-methyl-3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 6620077
6-(Azepan-1-yl)-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 20877999
3-Phenyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 9550434
3-(4-Fluorophenyl)-6-morpholin-4-yl[1,2,4]triazolo[4,3-b]pyridazine
CID 21443955
N-[(3,4-difluorophenyl)methyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 137655957
Ethyl 1-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate
CID 646368
4-[2-(3-Fluorophenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]morpholine
CID 649462
4-[2-(4-Fluorophenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]morpholine
CID 654240

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(2-fluorophenyl)-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 127418137) is 3-(2-fluorophenyl)-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(2-fluorophenyl)-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(2-fluorophenyl)-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is Fc1ccccc1-c1nnc2ccc(N3CCN(CC4CCOC4)CC3)nn12.
What is the InChIKey of 3-(2-fluorophenyl)-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is AGPBZPILMJHFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c21-17-4-2-1-3-16(17)20-23-22-18-5-6-19(24-27(18)20)26-10-8-25(9-11-26)13-15-7-12-28-14-15/h1-6,15H,7-14H2.
What are the key properties of 3-(2-fluorophenyl)-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-(2-fluorophenyl)-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 382.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 127418137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).