2-(3,5-dimethylpyrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone

C13H15F3N6O — CID 91956622

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)n1
InChIInChI=1S/C13H15F3N6O/c1-8-5-9(2)22(19-8)7-11(23)20-3-4-21-10(6-20)17-18-12(21)13(14,15)16/h5H,3-4,6-7H2,1-2H3
InChIKeyLZJGNDYWSOKMKL-UHFFFAOYSA-N
MW328.30 g/mol
LogP1.15
Rot. Bonds2

About 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (PubChem CID 91956622) has the molecular formula C13H15F3N6O and a molecular weight of 328.30 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
PubChem CID91956622
Molecular FormulaC13H15F3N6O
Molecular Weight328.30 g/mol
Exact Mass328.13
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)n1
InChIInChI=1S/C13H15F3N6O/c1-8-5-9(2)22(19-8)7-11(23)20-3-4-21-10(6-20)17-18-12(21)13(14,15)16/h5H,3-4,6-7H2,1-2H3
InChIKeyLZJGNDYWSOKMKL-UHFFFAOYSA-N
XLogP1.15
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone 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-(3,5-dimethylpyrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (CID 91956622) is 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is Cc1cc(C)n(CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The InChIKey is LZJGNDYWSOKMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6O/c1-8-5-9(2)22(19-8)7-11(23)20-3-4-21-10(6-20)17-18-12(21)13(14,15)16/h5H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone has a molecular weight of 328.30 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 91956622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).