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

C14H17F3N6O — CID 91956822

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[8-methyl-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)C2C)n1
InChIInChI=1S/C14H17F3N6O/c1-8-6-9(2)23(20-8)7-11(24)21-4-5-22-12(10(21)3)18-19-13(22)14(15,16)17/h6,10H,4-5,7H2,1-3H3
InChIKeyXUJZYUBOMUYPTB-UHFFFAOYSA-N
MW342.33 g/mol
LogP1.71
Rot. Bonds2

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

2-(3,5-dimethylpyrazol-1-yl)-1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (PubChem CID 91956822) has the molecular formula C14H17F3N6O and a molecular weight of 342.33 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[8-methyl-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-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
PubChem CID91956822
Molecular FormulaC14H17F3N6O
Molecular Weight342.33 g/mol
Exact Mass342.14
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[8-methyl-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)C2C)n1
InChIInChI=1S/C14H17F3N6O/c1-8-6-9(2)23(20-8)7-11(24)21-4-5-22-12(10(21)3)18-19-13(22)14(15,16)17/h6,10H,4-5,7H2,1-3H3
InChIKeyXUJZYUBOMUYPTB-UHFFFAOYSA-N
XLogP1.71
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[8-methyl-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-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (CID 91956822) is 2-(3,5-dimethylpyrazol-1-yl)-1-[8-methyl-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-[8-methyl-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-[8-methyl-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)C2C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The InChIKey is XUJZYUBOMUYPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O/c1-8-6-9(2)23(20-8)7-11(24)21-4-5-22-12(10(21)3)18-19-13(22)14(15,16)17/h6,10H,4-5,7H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone has a molecular weight of 342.33 g/mol, XLogP of 1.71, 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-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 91956822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).