1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,4-trimethylpiperidin-4-amine

C16H23F3N6 — CID 138019024

IUPAC1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,4-trimethylpiperidin-4-amine
SMILESCc1c(N2CCC(C)(N(C)C)CC2)nn2c(C(F)(F)F)nnc2c1C
InChIInChI=1S/C16H23F3N6/c1-10-11(2)13(24-8-6-15(3,7-9-24)23(4)5)22-25-12(10)20-21-14(25)16(17,18)19/h6-9H2,1-5H3
InChIKeyBISGOBSSJKVLPX-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.68
Rot. Bonds2

About 1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,4-trimethylpiperidin-4-amine

1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,4-trimethylpiperidin-4-amine (PubChem CID 138019024) has the molecular formula C16H23F3N6 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,4-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,4-trimethylpiperidin-4-amine
PubChem CID138019024
Molecular FormulaC16H23F3N6
Molecular Weight356.40 g/mol
Exact Mass356.19
IUPAC Name1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,4-trimethylpiperidin-4-amine
SMILESCc1c(N2CCC(C)(N(C)C)CC2)nn2c(C(F)(F)F)nnc2c1C
InChIInChI=1S/C16H23F3N6/c1-10-11(2)13(24-8-6-15(3,7-9-24)23(4)5)22-25-12(10)20-21-14(25)16(17,18)19/h6-9H2,1-5H3
InChIKeyBISGOBSSJKVLPX-UHFFFAOYSA-N
XLogP2.68
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,4-trimethylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,4-trimethylpiperidin-4-amine?
The IUPAC name of 1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,4-trimethylpiperidin-4-amine (CID 138019024) is 1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,4-trimethylpiperidin-4-amine.
What is the SMILES notation for 1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,4-trimethylpiperidin-4-amine?
The canonical SMILES for 1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,4-trimethylpiperidin-4-amine is Cc1c(N2CCC(C)(N(C)C)CC2)nn2c(C(F)(F)F)nnc2c1C.
What is the InChIKey of 1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,4-trimethylpiperidin-4-amine?
The InChIKey is BISGOBSSJKVLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N6/c1-10-11(2)13(24-8-6-15(3,7-9-24)23(4)5)22-25-12(10)20-21-14(25)16(17,18)19/h6-9H2,1-5H3.
What are the key properties of 1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,4-trimethylpiperidin-4-amine?
1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,4-trimethylpiperidin-4-amine has a molecular weight of 356.40 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N,4-trimethylpiperidin-4-amine is sourced from PubChem (CID 138019024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).