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

C18H17F4N5 — CID 133333824

IUPAC3-(2-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFc1ccccc1-c1nnc2ccc(NC3CCCC(C(F)(F)F)C3)nn12
InChIInChI=1S/C18H17F4N5/c19-14-7-2-1-6-13(14)17-25-24-16-9-8-15(26-27(16)17)23-12-5-3-4-11(10-12)18(20,21)22/h1-2,6-9,11-12H,3-5,10H2,(H,23,26)
InChIKeyRKDAUXHEVFFOSJ-UHFFFAOYSA-N
MW379.36 g/mol
LogP4.46
Rot. Bonds3

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

3-(2-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133333824) has the molecular formula C18H17F4N5 and a molecular weight of 379.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133333824
Molecular FormulaC18H17F4N5
Molecular Weight379.36 g/mol
Exact Mass379.14
IUPAC Name3-(2-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFc1ccccc1-c1nnc2ccc(NC3CCCC(C(F)(F)F)C3)nn12
InChIInChI=1S/C18H17F4N5/c19-14-7-2-1-6-13(14)17-25-24-16-9-8-15(26-27(16)17)23-12-5-3-4-11(10-12)18(20,21)22/h1-2,6-9,11-12H,3-5,10H2,(H,23,26)
InChIKeyRKDAUXHEVFFOSJ-UHFFFAOYSA-N
XLogP4.46
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

3-thiophen-3-yl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489106
N-(2-cyclopropyloxan-4-yl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 127878745
3-(2-fluorophenyl)-N-(1-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133292271
6-[4-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286721
1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydro-1H-inden-4-ol
CID 133428060
N-cyclobutyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10359460
6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridazine-3-carboxamide
CID 133333827
[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclopentyl]methanol
CID 133429502
N-cyclobutyl-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 134811095
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133425100
3-(2-fluorophenyl)-N-[(2-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133439655
(2S)-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol
CID 133434777

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133333824) is 3-(2-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Fc1ccccc1-c1nnc2ccc(NC3CCCC(C(F)(F)F)C3)nn12.
What is the InChIKey of 3-(2-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is RKDAUXHEVFFOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N5/c19-14-7-2-1-6-13(14)17-25-24-16-9-8-15(26-27(16)17)23-12-5-3-4-11(10-12)18(20,21)22/h1-2,6-9,11-12H,3-5,10H2,(H,23,26).
What are the key properties of 3-(2-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-(2-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 379.36 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133333824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).