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

C14H19F3N6 — CID 71898855

IUPACN-(1-ethylpiperidin-4-yl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCN1CCC(N(C)c2ccc3nnc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C14H19F3N6/c1-3-22-8-6-10(7-9-22)21(2)12-5-4-11-18-19-13(14(15,16)17)23(11)20-12/h4-5,10H,3,6-9H2,1-2H3
InChIKeyFRJIPIDSUQPHKY-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.06
Rot. Bonds3

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

N-(1-ethylpiperidin-4-yl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 71898855) has the molecular formula C14H19F3N6 and a molecular weight of 328.34 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID71898855
Molecular FormulaC14H19F3N6
Molecular Weight328.34 g/mol
Exact Mass328.16
IUPAC NameN-(1-ethylpiperidin-4-yl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCN1CCC(N(C)c2ccc3nnc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C14H19F3N6/c1-3-22-8-6-10(7-9-22)21(2)12-5-4-11-18-19-13(14(15,16)17)23(11)20-12/h4-5,10H,3,6-9H2,1-2H3
InChIKeyFRJIPIDSUQPHKY-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 71898855) is N-(1-ethylpiperidin-4-yl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCN1CCC(N(C)c2ccc3nnc(C(F)(F)F)n3n2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is FRJIPIDSUQPHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N6/c1-3-22-8-6-10(7-9-22)21(2)12-5-4-11-18-19-13(14(15,16)17)23(11)20-12/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(1-ethylpiperidin-4-yl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 328.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 71898855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).