2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;2,2,2-trifluoroacetic acid

C9H12F3N5O3 — CID 175933973

IUPAC2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;2,2,2-trifluoroacetic acid
SMILESNCC(=O)N1CCn2cnnc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H11N5O.C2HF3O2/c8-3-7(13)11-1-2-12-5-9-10-6(12)4-11;3-2(4,5)1(6)7/h5H,1-4,8H2;(H,6,7)
InChIKeyZZPFMBBPOTYAGX-UHFFFAOYSA-N
MW295.22 g/mol
LogP-0.79
Rot. Bonds1

About 2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;2,2,2-trifluoroacetic acid

2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;2,2,2-trifluoroacetic acid (PubChem CID 175933973) has the molecular formula C9H12F3N5O3 and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;2,2,2-trifluoroacetic acid
PubChem CID175933973
Molecular FormulaC9H12F3N5O3
Molecular Weight295.22 g/mol
Exact Mass295.09
IUPAC Name2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;2,2,2-trifluoroacetic acid
SMILESNCC(=O)N1CCn2cnnc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H11N5O.C2HF3O2/c8-3-7(13)11-1-2-12-5-9-10-6(12)4-11;3-2(4,5)1(6)7/h5H,1-4,8H2;(H,6,7)
InChIKeyZZPFMBBPOTYAGX-UHFFFAOYSA-N
XLogP-0.79
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-Methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine; 2,2,2-trifluoroacetate
CID 118998170
2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 64576946
8-Oxo-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid
CID 68523452
5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-4-ium-1-yl 2,2,2-trifluoroacetate
CID 91386661
2,2,2-trifluoroacetic acid;3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde
CID 134264378
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 158110072
2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
CID 169790711
[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]carbamic acid
CID 169791276
5,6,7,8-Tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 175747099
(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;2,2,2-trifluoroacetic acid
CID 177757957
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2,2-trifluoroethanone
CID 63586993
2,2,2-trifluoroethyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 63932908

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;2,2,2-trifluoroacetic acid (CID 175933973) is 2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;2,2,2-trifluoroacetic acid is NCC(=O)N1CCn2cnnc2C1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;2,2,2-trifluoroacetic acid?
The InChIKey is ZZPFMBBPOTYAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O.C2HF3O2/c8-3-7(13)11-1-2-12-5-9-10-6(12)4-11;3-2(4,5)1(6)7/h5H,1-4,8H2;(H,6,7).
What are the key properties of 2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;2,2,2-trifluoroacetic acid?
2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 295.22 g/mol, XLogP of -0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175933973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).