3-(2-fluorophenyl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C21H19FN6O2 — CID 133415592

IUPAC3-(2-fluorophenyl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFc1ccccc1-c1nnc2ccc(NCc3ccnc(OC4CCOC4)c3)nn12
InChIInChI=1S/C21H19FN6O2/c22-17-4-2-1-3-16(17)21-26-25-19-6-5-18(27-28(19)21)24-12-14-7-9-23-20(11-14)30-15-8-10-29-13-15/h1-7,9,11,15H,8,10,12-13H2,(H,24,27)
InChIKeySXXGFPWXTYHJCK-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.11
Rot. Bonds6

About 3-(2-fluorophenyl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-(2-fluorophenyl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133415592) has the molecular formula C21H19FN6O2 and a molecular weight of 406.42 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133415592
Molecular FormulaC21H19FN6O2
Molecular Weight406.42 g/mol
Exact Mass406.16
IUPAC Name3-(2-fluorophenyl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFc1ccccc1-c1nnc2ccc(NCc3ccnc(OC4CCOC4)c3)nn12
InChIInChI=1S/C21H19FN6O2/c22-17-4-2-1-3-16(17)21-26-25-19-6-5-18(27-28(19)21)24-12-14-7-9-23-20(11-14)30-15-8-10-29-13-15/h1-7,9,11,15H,8,10,12-13H2,(H,24,27)
InChIKeySXXGFPWXTYHJCK-UHFFFAOYSA-N
XLogP3.11
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(2-fluorophenyl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

3-(2-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 47072288
3,5-difluoro-4-[[2-(oxolan-3-yloxy)-4-pyridinyl]methylamino]benzonitrile
CID 133415731
N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133474592
N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine
CID 63558300
3-(2-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133353323
3-(2-fluorophenyl)-N-[(4-pyridin-3-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133332673
2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]propan-1-amine
CID 55212360
3-(2-fluorophenyl)-N-[(2-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133439655
3-(2-methylphenyl)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]cyclobutan-1-amine
CID 99621949
N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-quinolin-2-ylethane-1,2-diamine
CID 133309787
N-benzyl-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
CID 47072300
6-bromo-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]quinolin-4-amine
CID 133415596

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133415592) is 3-(2-fluorophenyl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Fc1ccccc1-c1nnc2ccc(NCc3ccnc(OC4CCOC4)c3)nn12.
What is the InChIKey of 3-(2-fluorophenyl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is SXXGFPWXTYHJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O2/c22-17-4-2-1-3-16(17)21-26-25-19-6-5-18(27-28(19)21)24-12-14-7-9-23-20(11-14)30-15-8-10-29-13-15/h1-7,9,11,15H,8,10,12-13H2,(H,24,27).
What are the key properties of 3-(2-fluorophenyl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-(2-fluorophenyl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 406.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133415592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).