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

C15H21F3N6 — CID 75440685

IUPAC7,8-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1c(NCC2CCCN(C)C2)nn2c(C(F)(F)F)nnc2c1C
InChIInChI=1S/C15H21F3N6/c1-9-10(2)13-20-21-14(15(16,17)18)24(13)22-12(9)19-7-11-5-4-6-23(3)8-11/h11H,4-8H2,1-3H3,(H,19,22)
InChIKeyCSRTWMNYKVWVMJ-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.51
Rot. Bonds3

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

7,8-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 75440685) has the molecular formula C15H21F3N6 and a molecular weight of 342.37 g/mol. Its IUPAC name is 7,8-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name7,8-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID75440685
Molecular FormulaC15H21F3N6
Molecular Weight342.37 g/mol
Exact Mass342.18
IUPAC Name7,8-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1c(NCC2CCCN(C)C2)nn2c(C(F)(F)F)nnc2c1C
InChIInChI=1S/C15H21F3N6/c1-9-10(2)13-20-21-14(15(16,17)18)24(13)22-12(9)19-7-11-5-4-6-23(3)8-11/h11H,4-8H2,1-3H3,(H,19,22)
InChIKeyCSRTWMNYKVWVMJ-UHFFFAOYSA-N
XLogP2.51
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7,8-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-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 7,8-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 7,8-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 75440685) is 7,8-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 7,8-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 7,8-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1c(NCC2CCCN(C)C2)nn2c(C(F)(F)F)nnc2c1C.
What is the InChIKey of 7,8-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is CSRTWMNYKVWVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N6/c1-9-10(2)13-20-21-14(15(16,17)18)24(13)22-12(9)19-7-11-5-4-6-23(3)8-11/h11H,4-8H2,1-3H3,(H,19,22).
What are the key properties of 7,8-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
7,8-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 342.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 75440685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).