2-(6-oxopyridazin-1-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide

C14H15F3N6O2 — CID 121022006

IUPAC2-(6-oxopyridazin-1-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
SMILESO=C(Cn1ncccc1=O)NCc1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C14H15F3N6O2/c15-14(16,17)9-3-4-10-20-21-11(22(10)7-9)6-18-12(24)8-23-13(25)2-1-5-19-23/h1-2,5,9H,3-4,6-8H2,(H,18,24)
InChIKeyPZRQDTGXULBVOT-UHFFFAOYSA-N
MW356.31 g/mol
LogP0.28
Rot. Bonds4

About 2-(6-oxopyridazin-1-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide

2-(6-oxopyridazin-1-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide (PubChem CID 121022006) has the molecular formula C14H15F3N6O2 and a molecular weight of 356.31 g/mol. Its IUPAC name is 2-(6-oxopyridazin-1-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(6-oxopyridazin-1-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
PubChem CID121022006
Molecular FormulaC14H15F3N6O2
Molecular Weight356.31 g/mol
Exact Mass356.12
IUPAC Name2-(6-oxopyridazin-1-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
SMILESO=C(Cn1ncccc1=O)NCc1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C14H15F3N6O2/c15-14(16,17)9-3-4-10-20-21-11(22(10)7-9)6-18-12(24)8-23-13(25)2-1-5-19-23/h1-2,5,9H,3-4,6-8H2,(H,18,24)
InChIKeyPZRQDTGXULBVOT-UHFFFAOYSA-N
XLogP0.28
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(6-oxopyridazin-1-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]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-(6-oxopyridazin-1-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The IUPAC name of 2-(6-oxopyridazin-1-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide (CID 121022006) is 2-(6-oxopyridazin-1-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(6-oxopyridazin-1-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(6-oxopyridazin-1-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide is O=C(Cn1ncccc1=O)NCc1nnc2n1CC(C(F)(F)F)CC2.
What is the InChIKey of 2-(6-oxopyridazin-1-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
The InChIKey is PZRQDTGXULBVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6O2/c15-14(16,17)9-3-4-10-20-21-11(22(10)7-9)6-18-12(24)8-23-13(25)2-1-5-19-23/h1-2,5,9H,3-4,6-8H2,(H,18,24).
What are the key properties of 2-(6-oxopyridazin-1-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide?
2-(6-oxopyridazin-1-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide has a molecular weight of 356.31 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxopyridazin-1-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide is sourced from PubChem (CID 121022006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).