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

C15H21F3N6 — CID 31661422

IUPACN-methyl-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)N1CCC(N(C)c2ccc3nnc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C15H21F3N6/c1-10(2)23-8-6-11(7-9-23)22(3)13-5-4-12-19-20-14(15(16,17)18)24(12)21-13/h4-5,10-11H,6-9H2,1-3H3
InChIKeyRMGYRZJYPZEZJP-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.45
Rot. Bonds3

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

N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 31661422) has the molecular formula C15H21F3N6 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-methyl-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID31661422
Molecular FormulaC15H21F3N6
Molecular Weight342.37 g/mol
Exact Mass342.18
IUPAC NameN-methyl-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)N1CCC(N(C)c2ccc3nnc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C15H21F3N6/c1-10(2)23-8-6-11(7-9-23)22(3)13-5-4-12-19-20-14(15(16,17)18)24(12)21-13/h4-5,10-11H,6-9H2,1-3H3
InChIKeyRMGYRZJYPZEZJP-UHFFFAOYSA-N
XLogP2.45
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-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 N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 31661422) is N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC(C)N1CCC(N(C)c2ccc3nnc(C(F)(F)F)n3n2)CC1.
What is the InChIKey of N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is RMGYRZJYPZEZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N6/c1-10(2)23-8-6-11(7-9-23)22(3)13-5-4-12-19-20-14(15(16,17)18)24(12)21-13/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 342.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 31661422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).