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

C12H15F3N4O — CID 64579048

IUPAC2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-one
SMILESO=C1CCCC1CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)11-17-16-10-7-18(4-5-19(10)11)6-8-2-1-3-9(8)20/h8H,1-7H2
InChIKeyNVFMSBDCYVHBRU-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.48
Rot. Bonds2

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

2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-one (PubChem CID 64579048) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-one
PubChem CID64579048
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-one
SMILESO=C1CCCC1CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)11-17-16-10-7-18(4-5-19(10)11)6-8-2-1-3-9(8)20/h8H,1-7H2
InChIKeyNVFMSBDCYVHBRU-UHFFFAOYSA-N
XLogP1.48
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-one 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-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-one?
The IUPAC name of 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-one (CID 64579048) is 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-one?
The canonical SMILES for 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-one is O=C1CCCC1CN1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-one?
The InChIKey is NVFMSBDCYVHBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c13-12(14,15)11-17-16-10-7-18(4-5-19(10)11)6-8-2-1-3-9(8)20/h8H,1-7H2.
What are the key properties of 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-one?
2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-one has a molecular weight of 288.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]cyclopentan-1-one is sourced from PubChem (CID 64579048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).