2-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-[1,2,4]triazolo[1,5-b]pyridazin-6-amine

C13H14F3N7 — CID 146140628

IUPAC2-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-[1,2,4]triazolo[1,5-b]pyridazin-6-amine
SMILESCc1nc2ccc(NCCn3nc(C(F)(F)F)cc3C)nn2n1
InChIInChI=1S/C13H14F3N7/c1-8-7-10(13(14,15)16)20-22(8)6-5-17-11-3-4-12-18-9(2)19-23(12)21-11/h3-4,7H,5-6H2,1-2H3,(H,17,21)
InChIKeyQKJFJMAAGKUWLE-UHFFFAOYSA-N
MW325.30 g/mol
LogP2.07
Rot. Bonds4

About 2-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-[1,2,4]triazolo[1,5-b]pyridazin-6-amine

2-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-[1,2,4]triazolo[1,5-b]pyridazin-6-amine (PubChem CID 146140628) has the molecular formula C13H14F3N7 and a molecular weight of 325.30 g/mol. Its IUPAC name is 2-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-[1,2,4]triazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-[1,2,4]triazolo[1,5-b]pyridazin-6-amine
PubChem CID146140628
Molecular FormulaC13H14F3N7
Molecular Weight325.30 g/mol
Exact Mass325.13
IUPAC Name2-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-[1,2,4]triazolo[1,5-b]pyridazin-6-amine
SMILESCc1nc2ccc(NCCn3nc(C(F)(F)F)cc3C)nn2n1
InChIInChI=1S/C13H14F3N7/c1-8-7-10(13(14,15)16)20-22(8)6-5-17-11-3-4-12-18-9(2)19-23(12)21-11/h3-4,7H,5-6H2,1-2H3,(H,17,21)
InChIKeyQKJFJMAAGKUWLE-UHFFFAOYSA-N
XLogP2.07
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-[1,2,4]triazolo[1,5-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 2-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-[1,2,4]triazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of 2-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-[1,2,4]triazolo[1,5-b]pyridazin-6-amine (CID 146140628) is 2-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-[1,2,4]triazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for 2-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-[1,2,4]triazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for 2-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-[1,2,4]triazolo[1,5-b]pyridazin-6-amine is Cc1nc2ccc(NCCn3nc(C(F)(F)F)cc3C)nn2n1.
What is the InChIKey of 2-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-[1,2,4]triazolo[1,5-b]pyridazin-6-amine?
The InChIKey is QKJFJMAAGKUWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N7/c1-8-7-10(13(14,15)16)20-22(8)6-5-17-11-3-4-12-18-9(2)19-23(12)21-11/h3-4,7H,5-6H2,1-2H3,(H,17,21).
What are the key properties of 2-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-[1,2,4]triazolo[1,5-b]pyridazin-6-amine?
2-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-[1,2,4]triazolo[1,5-b]pyridazin-6-amine has a molecular weight of 325.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-[1,2,4]triazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 146140628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).