5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid

C7H9F3N4O2 — CID 175747099

IUPAC5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1nc2n(n1)CCNC2
InChIInChI=1S/C5H8N4.C2HF3O2/c1-2-9-5(3-6-1)7-4-8-9;3-2(4,5)1(6)7/h4,6H,1-3H2;(H,6,7)
InChIKeyNATZDWRCHSPKPE-UHFFFAOYSA-N
MW238.17 g/mol
LogP0.01
Rot. Bonds

About 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid

5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 175747099) has the molecular formula C7H9F3N4O2 and a molecular weight of 238.17 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID175747099
Molecular FormulaC7H9F3N4O2
Molecular Weight238.17 g/mol
Exact Mass238.07
IUPAC Name5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1nc2n(n1)CCNC2
InChIInChI=1S/C5H8N4.C2HF3O2/c1-2-9-5(3-6-1)7-4-8-9;3-2(4,5)1(6)7/h4,6H,1-3H2;(H,6,7)
InChIKeyNATZDWRCHSPKPE-UHFFFAOYSA-N
XLogP0.01
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid (CID 175747099) is 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1nc2n(n1)CCNC2.
What is the InChIKey of 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is NATZDWRCHSPKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4.C2HF3O2/c1-2-9-5(3-6-1)7-4-8-9;3-2(4,5)1(6)7/h4,6H,1-3H2;(H,6,7).
What are the key properties of 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 238.17 g/mol, XLogP of 0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175747099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).