3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid

C7H7F3N4O2 — CID 68524743

IUPAC3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid
SMILESO=C(O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C7H7F3N4O2/c8-7(9,10)5-12-11-4-3-13(6(15)16)1-2-14(4)5/h1-3H2,(H,15,16)
InChIKeyVXSVTTIEIFKRFS-UHFFFAOYSA-N
MW236.15 g/mol
LogP0.79
Rot. Bonds

About 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid

3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid (PubChem CID 68524743) has the molecular formula C7H7F3N4O2 and a molecular weight of 236.15 g/mol. Its IUPAC name is 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid
PubChem CID68524743
Molecular FormulaC7H7F3N4O2
Molecular Weight236.15 g/mol
Exact Mass236.05
IUPAC Name3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid
SMILESO=C(O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C7H7F3N4O2/c8-7(9,10)5-12-11-4-3-13(6(15)16)1-2-14(4)5/h1-3H2,(H,15,16)
InChIKeyVXSVTTIEIFKRFS-UHFFFAOYSA-N
XLogP0.79
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid?
The IUPAC name of 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid (CID 68524743) is 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid is O=C(O)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid?
The InChIKey is VXSVTTIEIFKRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O2/c8-7(9,10)5-12-11-4-3-13(6(15)16)1-2-14(4)5/h1-3H2,(H,15,16).
What are the key properties of 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid?
3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid has a molecular weight of 236.15 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 68524743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).