N-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-azabicyclo[3.1.0]hexan-6-amine

C18H16F4N6 — CID 67340790

IUPACN-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-azabicyclo[3.1.0]hexan-6-amine
SMILESFc1ccc(CNC2C3CN(c4ccc5nnc(C(F)(F)F)n5n4)CC32)cc1
InChIInChI=1S/C18H16F4N6/c19-11-3-1-10(2-4-11)7-23-16-12-8-27(9-13(12)16)15-6-5-14-24-25-17(18(20,21)22)28(14)26-15/h1-6,12-13,16,23H,7-9H2
InChIKeyYIFBSPIQVTZZTG-UHFFFAOYSA-N
MW392.36 g/mol
LogP2.51
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-azabicyclo[3.1.0]hexan-6-amine

N-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 67340790) has the molecular formula C18H16F4N6 and a molecular weight of 392.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID67340790
Molecular FormulaC18H16F4N6
Molecular Weight392.36 g/mol
Exact Mass392.14
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-azabicyclo[3.1.0]hexan-6-amine
SMILESFc1ccc(CNC2C3CN(c4ccc5nnc(C(F)(F)F)n5n4)CC32)cc1
InChIInChI=1S/C18H16F4N6/c19-11-3-1-10(2-4-11)7-23-16-12-8-27(9-13(12)16)15-6-5-14-24-25-17(18(20,21)22)28(14)26-15/h1-6,12-13,16,23H,7-9H2
InChIKeyYIFBSPIQVTZZTG-UHFFFAOYSA-N
XLogP2.51
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-azabicyclo[3.1.0]hexan-6-amine with MolForge

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Related Compounds

[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]methanol
CID 67340864
6-(3-ethylazetidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 59149788
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67340307
3-(trifluoromethyl)-6-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 86638073
4-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-3-amine
CID 106950668
6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67340876
6-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 59149727
[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-yl]methanamine
CID 106950587
N-tert-butyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-carboxamide
CID 165434542
3-methyl-1-[5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]butan-2-one
CID 90946696
N-cyclopentyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-sulfonamide
CID 75476008
N-[(3-fluorophenyl)methyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 171473313

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-azabicyclo[3.1.0]hexan-6-amine (CID 67340790) is N-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-azabicyclo[3.1.0]hexan-6-amine is Fc1ccc(CNC2C3CN(c4ccc5nnc(C(F)(F)F)n5n4)CC32)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is YIFBSPIQVTZZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N6/c19-11-3-1-10(2-4-11)7-23-16-12-8-27(9-13(12)16)15-6-5-14-24-25-17(18(20,21)22)28(14)26-15/h1-6,12-13,16,23H,7-9H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-azabicyclo[3.1.0]hexan-6-amine?
N-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 392.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 67340790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).