N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]acetamide

C14H16F3N5O2 — CID 172516780

IUPACN-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Oc2ccc3nnc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C14H16F3N5O2/c1-8(23)18-9-2-4-10(5-3-9)24-12-7-6-11-19-20-13(14(15,16)17)22(11)21-12/h6-7,9-10H,2-5H2,1H3,(H,18,23)
InChIKeyMLSGPULOTJJLLX-UHFFFAOYSA-N
MW343.31 g/mol
LogP1.97
Rot. Bonds3

About N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]acetamide

N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]acetamide (PubChem CID 172516780) has the molecular formula C14H16F3N5O2 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]acetamide
PubChem CID172516780
Molecular FormulaC14H16F3N5O2
Molecular Weight343.31 g/mol
Exact Mass343.13
IUPAC NameN-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Oc2ccc3nnc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C14H16F3N5O2/c1-8(23)18-9-2-4-10(5-3-9)24-12-7-6-11-19-20-13(14(15,16)17)22(11)21-12/h6-7,9-10H,2-5H2,1H3,(H,18,23)
InChIKeyMLSGPULOTJJLLX-UHFFFAOYSA-N
XLogP1.97
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]acetamide (CID 172516780) is N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]acetamide is CC(=O)NC1CCC(Oc2ccc3nnc(C(F)(F)F)n3n2)CC1.
What is the InChIKey of N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]acetamide?
The InChIKey is MLSGPULOTJJLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2/c1-8(23)18-9-2-4-10(5-3-9)24-12-7-6-11-19-20-13(14(15,16)17)22(11)21-12/h6-7,9-10H,2-5H2,1H3,(H,18,23).
What are the key properties of N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]acetamide?
N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]acetamide has a molecular weight of 343.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]cyclohexyl]acetamide is sourced from PubChem (CID 172516780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).