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

C18H19F3N6O — CID 133424487

IUPAC2-[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)c2nn3c(C(F)(F)F)nnc3c(C)c2C)cc1
InChIInChI=1S/C18H19F3N6O/c1-10-5-7-13(8-6-10)22-14(28)9-26(4)16-12(3)11(2)15-23-24-17(18(19,20)21)27(15)25-16/h5-8H,9H2,1-4H3,(H,22,28)
InChIKeyJCSWKYDGRMVENG-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.14
Rot. Bonds4

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

2-[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 133424487) has the molecular formula C18H19F3N6O and a molecular weight of 392.39 g/mol. Its IUPAC name is 2-[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID133424487
Molecular FormulaC18H19F3N6O
Molecular Weight392.39 g/mol
Exact Mass392.16
IUPAC Name2-[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)c2nn3c(C(F)(F)F)nnc3c(C)c2C)cc1
InChIInChI=1S/C18H19F3N6O/c1-10-5-7-13(8-6-10)22-14(28)9-26(4)16-12(3)11(2)15-23-24-17(18(19,20)21)27(15)25-16/h5-8H,9H2,1-4H3,(H,22,28)
InChIKeyJCSWKYDGRMVENG-UHFFFAOYSA-N
XLogP3.14
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]-N-(4-methylphenyl)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,7,8-trimethyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 139007022
N-(4-fluorophenyl)-2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
CID 17416959
2-[acetyl(tert-butyl)amino]-N-(4-methylphenyl)acetamide
CID 113166147
4-[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butanoic acid
CID 122058687
2-methyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 62822506
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
2-(diethylamino)-N-(4-methylphenyl)acetamide;hydrochloride
CID 138397911
2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
CID 2645683
N-carbamoyl-3-[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanamide
CID 133430002
2-[methyl-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 25163639
2-[ethyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 31993110
2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 79119762

Frequently Asked Questions

What is the IUPAC name of 2-[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]-N-(4-methylphenyl)acetamide (CID 133424487) is 2-[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)c2nn3c(C(F)(F)F)nnc3c(C)c2C)cc1.
What is the InChIKey of 2-[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is JCSWKYDGRMVENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O/c1-10-5-7-13(8-6-10)22-14(28)9-26(4)16-12(3)11(2)15-23-24-17(18(19,20)21)27(15)25-16/h5-8H,9H2,1-4H3,(H,22,28).
What are the key properties of 2-[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]-N-(4-methylphenyl)acetamide?
2-[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 392.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 133424487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).