3-(2-fluorophenyl)-N-(1-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C21H19FN6 — CID 133292271

IUPAC3-(2-fluorophenyl)-N-(1-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFc1ccccc1-c1nnc2ccc(NC3CCN(c4ccccc4)C3)nn12
InChIInChI=1S/C21H19FN6/c22-18-9-5-4-8-17(18)21-25-24-20-11-10-19(26-28(20)21)23-15-12-13-27(14-15)16-6-2-1-3-7-16/h1-11,15H,12-14H2,(H,23,26)
InChIKeyZPYODXWVISJWFT-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.62
Rot. Bonds4

About 3-(2-fluorophenyl)-N-(1-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-(2-fluorophenyl)-N-(1-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133292271) has the molecular formula C21H19FN6 and a molecular weight of 374.42 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(1-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(1-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133292271
Molecular FormulaC21H19FN6
Molecular Weight374.42 g/mol
Exact Mass374.17
IUPAC Name3-(2-fluorophenyl)-N-(1-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFc1ccccc1-c1nnc2ccc(NC3CCN(c4ccccc4)C3)nn12
InChIInChI=1S/C21H19FN6/c22-18-9-5-4-8-17(18)21-25-24-20-11-10-19(26-28(20)21)23-15-12-13-27(14-15)16-6-2-1-3-7-16/h1-11,15H,12-14H2,(H,23,26)
InChIKeyZPYODXWVISJWFT-UHFFFAOYSA-N
XLogP3.62
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286721
3-(2-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133333824
N-(2-cyclopropyloxan-4-yl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 127878745
[1-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 50783266
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133330151
3-(2-fluorophenyl)-N-[(2-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133439655
1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydro-1H-inden-4-ol
CID 133428060
[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclopentyl]methanol
CID 133429502
3-(2-fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 47072263
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 52744781
3-(2-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133353323
6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 43144392

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(1-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-(1-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133292271) is 3-(2-fluorophenyl)-N-(1-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(1-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-(1-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Fc1ccccc1-c1nnc2ccc(NC3CCN(c4ccccc4)C3)nn12.
What is the InChIKey of 3-(2-fluorophenyl)-N-(1-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is ZPYODXWVISJWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6/c22-18-9-5-4-8-17(18)21-25-24-20-11-10-19(26-28(20)21)23-15-12-13-27(14-15)16-6-2-1-3-7-16/h1-11,15H,12-14H2,(H,23,26).
What are the key properties of 3-(2-fluorophenyl)-N-(1-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-(2-fluorophenyl)-N-(1-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 374.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(1-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133292271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).