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

C12H13F3N4O — CID 71918580

IUPACcyclopenten-1-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(C1=CCCC1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H13F3N4O/c13-12(14,15)11-17-16-9-7-18(5-6-19(9)11)10(20)8-3-1-2-4-8/h3H,1-2,4-7H2
InChIKeyOYEKPUNEZPRSRR-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.75
Rot. Bonds1

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

cyclopenten-1-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 71918580) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is cyclopenten-1-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID71918580
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Namecyclopenten-1-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(C1=CCCC1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H13F3N4O/c13-12(14,15)11-17-16-9-7-18(5-6-19(9)11)10(20)8-3-1-2-4-8/h3H,1-2,4-7H2
InChIKeyOYEKPUNEZPRSRR-UHFFFAOYSA-N
XLogP1.75
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of cyclopenten-1-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 71918580) is cyclopenten-1-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for cyclopenten-1-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for cyclopenten-1-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is O=C(C1=CCCC1)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of cyclopenten-1-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is OYEKPUNEZPRSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c13-12(14,15)11-17-16-9-7-18(5-6-19(9)11)10(20)8-3-1-2-4-8/h3H,1-2,4-7H2.
What are the key properties of cyclopenten-1-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
cyclopenten-1-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 286.26 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 71918580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).