2-[1-ethyl-4-oxo-7-(trifluoromethyl)cinnolin-3-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide

C18H14F3N7O2 — CID 163219141

IUPAC2-[1-ethyl-4-oxo-7-(trifluoromethyl)cinnolin-3-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
SMILESCCn1nc(CC(=O)Nc2ccc3nncn3n2)c(=O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C18H14F3N7O2/c1-2-27-13-7-10(18(19,20)21)3-4-11(13)17(30)12(25-27)8-16(29)23-14-5-6-15-24-22-9-28(15)26-14/h3-7,9H,2,8H2,1H3,(H,23,26,29)
InChIKeyOYIIBNRHKXHDND-UHFFFAOYSA-N
MW417.35 g/mol
LogP2.05
Rot. Bonds4

About 2-[1-ethyl-4-oxo-7-(trifluoromethyl)cinnolin-3-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide

2-[1-ethyl-4-oxo-7-(trifluoromethyl)cinnolin-3-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide (PubChem CID 163219141) has the molecular formula C18H14F3N7O2 and a molecular weight of 417.35 g/mol. Its IUPAC name is 2-[1-ethyl-4-oxo-7-(trifluoromethyl)cinnolin-3-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide.

Molecular Properties

Compound Name2-[1-ethyl-4-oxo-7-(trifluoromethyl)cinnolin-3-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
PubChem CID163219141
Molecular FormulaC18H14F3N7O2
Molecular Weight417.35 g/mol
Exact Mass417.12
IUPAC Name2-[1-ethyl-4-oxo-7-(trifluoromethyl)cinnolin-3-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide
SMILESCCn1nc(CC(=O)Nc2ccc3nncn3n2)c(=O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C18H14F3N7O2/c1-2-27-13-7-10(18(19,20)21)3-4-11(13)17(30)12(25-27)8-16(29)23-14-5-6-15-24-22-9-28(15)26-14/h3-7,9H,2,8H2,1H3,(H,23,26,29)
InChIKeyOYIIBNRHKXHDND-UHFFFAOYSA-N
XLogP2.05
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[1-ethyl-4-oxo-7-(trifluoromethyl)cinnolin-3-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide 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-[1-ethyl-4-oxo-7-(trifluoromethyl)cinnolin-3-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide?
The IUPAC name of 2-[1-ethyl-4-oxo-7-(trifluoromethyl)cinnolin-3-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide (CID 163219141) is 2-[1-ethyl-4-oxo-7-(trifluoromethyl)cinnolin-3-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide.
What is the SMILES notation for 2-[1-ethyl-4-oxo-7-(trifluoromethyl)cinnolin-3-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide?
The canonical SMILES for 2-[1-ethyl-4-oxo-7-(trifluoromethyl)cinnolin-3-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide is CCn1nc(CC(=O)Nc2ccc3nncn3n2)c(=O)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 2-[1-ethyl-4-oxo-7-(trifluoromethyl)cinnolin-3-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide?
The InChIKey is OYIIBNRHKXHDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N7O2/c1-2-27-13-7-10(18(19,20)21)3-4-11(13)17(30)12(25-27)8-16(29)23-14-5-6-15-24-22-9-28(15)26-14/h3-7,9H,2,8H2,1H3,(H,23,26,29).
What are the key properties of 2-[1-ethyl-4-oxo-7-(trifluoromethyl)cinnolin-3-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide?
2-[1-ethyl-4-oxo-7-(trifluoromethyl)cinnolin-3-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide has a molecular weight of 417.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-4-oxo-7-(trifluoromethyl)cinnolin-3-yl]-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)acetamide is sourced from PubChem (CID 163219141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).