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

C11H15F3N4O — CID 64579991

IUPAC1-cyclopropyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanol
SMILESOC(CN1CCn2c(nnc2C(F)(F)F)C1)C1CC1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)10-16-15-9-6-17(3-4-18(9)10)5-8(19)7-1-2-7/h7-8,19H,1-6H2
InChIKeyJMQBOOUKBYSCDY-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.88
Rot. Bonds3

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

1-cyclopropyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanol (PubChem CID 64579991) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanol
PubChem CID64579991
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name1-cyclopropyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanol
SMILESOC(CN1CCn2c(nnc2C(F)(F)F)C1)C1CC1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)10-16-15-9-6-17(3-4-18(9)10)5-8(19)7-1-2-7/h7-8,19H,1-6H2
InChIKeyJMQBOOUKBYSCDY-UHFFFAOYSA-N
XLogP0.88
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanol?
The IUPAC name of 1-cyclopropyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanol (CID 64579991) is 1-cyclopropyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanol is OC(CN1CCn2c(nnc2C(F)(F)F)C1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanol?
The InChIKey is JMQBOOUKBYSCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)10-16-15-9-6-17(3-4-18(9)10)5-8(19)7-1-2-7/h7-8,19H,1-6H2.
What are the key properties of 1-cyclopropyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanol?
1-cyclopropyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanol has a molecular weight of 276.26 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanol is sourced from PubChem (CID 64579991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).