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

C14H19F3N6 — CID 47054428

IUPACN,N-dimethyl-1-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methanamine
SMILESCN(C)CC1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C14H19F3N6/c1-21(2)9-10-5-7-22(8-6-10)12-4-3-11-18-19-13(14(15,16)17)23(11)20-12/h3-4,10H,5-9H2,1-2H3
InChIKeyZOLSXNRDNNTTNA-UHFFFAOYSA-N
MW328.34 g/mol
LogP1.92
Rot. Bonds3

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

N,N-dimethyl-1-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methanamine (PubChem CID 47054428) has the molecular formula C14H19F3N6 and a molecular weight of 328.34 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methanamine
PubChem CID47054428
Molecular FormulaC14H19F3N6
Molecular Weight328.34 g/mol
Exact Mass328.16
IUPAC NameN,N-dimethyl-1-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methanamine
SMILESCN(C)CC1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C14H19F3N6/c1-21(2)9-10-5-7-22(8-6-10)12-4-3-11-18-19-13(14(15,16)17)23(11)20-12/h3-4,10H,5-9H2,1-2H3
InChIKeyZOLSXNRDNNTTNA-UHFFFAOYSA-N
XLogP1.92
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methanamine (CID 47054428) is N,N-dimethyl-1-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methanamine is CN(C)CC1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1.
What is the InChIKey of N,N-dimethyl-1-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methanamine?
The InChIKey is ZOLSXNRDNNTTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N6/c1-21(2)9-10-5-7-22(8-6-10)12-4-3-11-18-19-13(14(15,16)17)23(11)20-12/h3-4,10H,5-9H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methanamine?
N,N-dimethyl-1-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methanamine has a molecular weight of 328.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 47054428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).