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

C7H7F3N4O — CID 63586993

IUPAC1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCn2cnnc2C1)C(F)(F)F
InChIInChI=1S/C7H7F3N4O/c8-7(9,10)6(15)13-1-2-14-4-11-12-5(14)3-13/h4H,1-3H2
InChIKeyFTDZEJPEGZOPFY-UHFFFAOYSA-N
MW220.15 g/mol
LogP0.18
Rot. Bonds

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

1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2,2-trifluoroethanone (PubChem CID 63586993) has the molecular formula C7H7F3N4O and a molecular weight of 220.15 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2,2-trifluoroethanone
PubChem CID63586993
Molecular FormulaC7H7F3N4O
Molecular Weight220.15 g/mol
Exact Mass220.06
IUPAC Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCn2cnnc2C1)C(F)(F)F
InChIInChI=1S/C7H7F3N4O/c8-7(9,10)6(15)13-1-2-14-4-11-12-5(14)3-13/h4H,1-3H2
InChIKeyFTDZEJPEGZOPFY-UHFFFAOYSA-N
XLogP0.18
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2,2-trifluoroethanone (CID 63586993) is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2,2-trifluoroethanone is O=C(N1CCn2cnnc2C1)C(F)(F)F.
What is the InChIKey of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2,2-trifluoroethanone?
The InChIKey is FTDZEJPEGZOPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O/c8-7(9,10)6(15)13-1-2-14-4-11-12-5(14)3-13/h4H,1-3H2.
What are the key properties of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2,2-trifluoroethanone?
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2,2-trifluoroethanone has a molecular weight of 220.15 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 63586993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).