2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione

C14H15F3N4O2 — CID 18731694

IUPAC2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
SMILESCc1cc(C(F)(F)F)c(C)nc1-n1c(=O)n2n(c1=O)CCCC2
InChIInChI=1S/C14H15F3N4O2/c1-8-7-10(14(15,16)17)9(2)18-11(8)21-12(22)19-5-3-4-6-20(19)13(21)23/h7H,3-6H2,1-2H3
InChIKeyWWAQCBIMLHKPMA-UHFFFAOYSA-N
MW328.29 g/mol
LogP1.63
Rot. Bonds1

About 2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione

2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione (PubChem CID 18731694) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione.

Molecular Properties

Compound Name2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
PubChem CID18731694
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
SMILESCc1cc(C(F)(F)F)c(C)nc1-n1c(=O)n2n(c1=O)CCCC2
InChIInChI=1S/C14H15F3N4O2/c1-8-7-10(14(15,16)17)9(2)18-11(8)21-12(22)19-5-3-4-6-20(19)13(21)23/h7H,3-6H2,1-2H3
InChIKeyWWAQCBIMLHKPMA-UHFFFAOYSA-N
XLogP1.63
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione 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-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione?
The IUPAC name of 2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione (CID 18731694) is 2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione.
What is the SMILES notation for 2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione?
The canonical SMILES for 2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione is Cc1cc(C(F)(F)F)c(C)nc1-n1c(=O)n2n(c1=O)CCCC2.
What is the InChIKey of 2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione?
The InChIKey is WWAQCBIMLHKPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-8-7-10(14(15,16)17)9(2)18-11(8)21-12(22)19-5-3-4-6-20(19)13(21)23/h7H,3-6H2,1-2H3.
What are the key properties of 2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione?
2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione has a molecular weight of 328.29 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione is sourced from PubChem (CID 18731694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).