N-ethyl-N-methyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide

C11H13F3N6O — CID 104925756

IUPACN-ethyl-N-methyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
SMILESCCN(C)C(=O)CNc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C11H13F3N6O/c1-3-19(2)9(21)6-15-7-4-5-8-16-17-10(11(12,13)14)20(8)18-7/h4-5H,3,6H2,1-2H3,(H,15,18)
InChIKeyKDRYHQBTYDPUPJ-UHFFFAOYSA-N
MW302.26 g/mol
LogP1.03
Rot. Bonds4

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

N-ethyl-N-methyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide (PubChem CID 104925756) has the molecular formula C11H13F3N6O and a molecular weight of 302.26 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
PubChem CID104925756
Molecular FormulaC11H13F3N6O
Molecular Weight302.26 g/mol
Exact Mass302.11
IUPAC NameN-ethyl-N-methyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
SMILESCCN(C)C(=O)CNc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C11H13F3N6O/c1-3-19(2)9(21)6-15-7-4-5-8-16-17-10(11(12,13)14)20(8)18-7/h4-5H,3,6H2,1-2H3,(H,15,18)
InChIKeyKDRYHQBTYDPUPJ-UHFFFAOYSA-N
XLogP1.03
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-N-methyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
CID 103606806
N',N'-diethyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethane-1,2-diamine
CID 35870058
N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 106950542
2-methyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanamide
CID 106950548
methyl (2S)-2-hydroxy-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanoate
CID 97351854
2-ethyl-1-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]butane-1,2-diamine
CID 106950640
ethyl 3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butanoate
CID 133363383
1,1-difluoro-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propan-2-ol
CID 103731282
tert-butyl 4-[[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]benzoate
CID 133326477
3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propane-1,2-diol
CID 103801573
5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pentan-1-ol
CID 107302564
N-(2-tert-butylsulfanylethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133275911

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide?
The IUPAC name of N-ethyl-N-methyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide (CID 104925756) is N-ethyl-N-methyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide is CCN(C)C(=O)CNc1ccc2nnc(C(F)(F)F)n2n1.
What is the InChIKey of N-ethyl-N-methyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide?
The InChIKey is KDRYHQBTYDPUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6O/c1-3-19(2)9(21)6-15-7-4-5-8-16-17-10(11(12,13)14)20(8)18-7/h4-5H,3,6H2,1-2H3,(H,15,18).
What are the key properties of N-ethyl-N-methyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide?
N-ethyl-N-methyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide has a molecular weight of 302.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide is sourced from PubChem (CID 104925756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).