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

C11H15F3N4O — CID 64579017

IUPAC2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentan-1-ol
SMILESOC1CCCC1N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)10-16-15-9-6-17(4-5-18(9)10)7-2-1-3-8(7)19/h7-8,19H,1-6H2
InChIKeyBOXCWBRHECQSRC-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.03
Rot. Bonds1

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

2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentan-1-ol (PubChem CID 64579017) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentan-1-ol
PubChem CID64579017
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentan-1-ol
SMILESOC1CCCC1N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)10-16-15-9-6-17(4-5-18(9)10)7-2-1-3-8(7)19/h7-8,19H,1-6H2
InChIKeyBOXCWBRHECQSRC-UHFFFAOYSA-N
XLogP1.03
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]cyclopentan-1-ol?
The IUPAC name of 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentan-1-ol (CID 64579017) is 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentan-1-ol is OC1CCCC1N1CCn2c(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]cyclopentan-1-ol?
The InChIKey is BOXCWBRHECQSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)10-16-15-9-6-17(4-5-18(9)10)7-2-1-3-8(7)19/h7-8,19H,1-6H2.
What are the key properties of 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentan-1-ol?
2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclopentan-1-ol has a molecular weight of 276.26 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 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]cyclopentan-1-ol is sourced from PubChem (CID 64579017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).