N-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C17H17F3N6 — CID 44573835

IUPACN-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFC(F)(F)c1cccc(-c2nnc3ccc(NC4CCCNC4)nn23)c1
InChIInChI=1S/C17H17F3N6/c18-17(19,20)12-4-1-3-11(9-12)16-24-23-15-7-6-14(25-26(15)16)22-13-5-2-8-21-10-13/h1,3-4,6-7,9,13,21H,2,5,8,10H2,(H,22,25)
InChIKeyRZPHTCAOYGPVSZ-UHFFFAOYSA-N
MW362.36 g/mol
LogP2.97
Rot. Bonds3

About N-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 44573835) has the molecular formula C17H17F3N6 and a molecular weight of 362.36 g/mol. Its IUPAC name is N-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID44573835
Molecular FormulaC17H17F3N6
Molecular Weight362.36 g/mol
Exact Mass362.15
IUPAC NameN-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFC(F)(F)c1cccc(-c2nnc3ccc(NC4CCCNC4)nn23)c1
InChIInChI=1S/C17H17F3N6/c18-17(19,20)12-4-1-3-11(9-12)16-24-23-15-7-6-14(25-26(15)16)22-13-5-2-8-21-10-13/h1,3-4,6-7,9,13,21H,2,5,8,10H2,(H,22,25)
InChIKeyRZPHTCAOYGPVSZ-UHFFFAOYSA-N
XLogP2.97
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 44573835) is N-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is FC(F)(F)c1cccc(-c2nnc3ccc(NC4CCCNC4)nn23)c1.
What is the InChIKey of N-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is RZPHTCAOYGPVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6/c18-17(19,20)12-4-1-3-11(9-12)16-24-23-15-7-6-14(25-26(15)16)22-13-5-2-8-21-10-13/h1,3-4,6-7,9,13,21H,2,5,8,10H2,(H,22,25).
What are the key properties of N-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 362.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 44573835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).