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

C8H10F3N5O — CID 64576946

IUPAC2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
SMILESNCC(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C8H10F3N5O/c9-8(10,11)7-14-13-5-4-15(6(17)3-12)1-2-16(5)7/h1-4,12H2
InChIKeyRNGIHAWMTUPHGW-UHFFFAOYSA-N
MW249.20 g/mol
LogP-0.40
Rot. Bonds1

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

2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (PubChem CID 64576946) has the molecular formula C8H10F3N5O and a molecular weight of 249.20 g/mol. Its IUPAC name is 2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
PubChem CID64576946
Molecular FormulaC8H10F3N5O
Molecular Weight249.20 g/mol
Exact Mass249.08
IUPAC Name2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
SMILESNCC(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C8H10F3N5O/c9-8(10,11)7-14-13-5-4-15(6(17)3-12)1-2-16(5)7/h1-4,12H2
InChIKeyRNGIHAWMTUPHGW-UHFFFAOYSA-N
XLogP-0.40
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (CID 64576946) is 2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is NCC(=O)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The InChIKey is RNGIHAWMTUPHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N5O/c9-8(10,11)7-14-13-5-4-15(6(17)3-12)1-2-16(5)7/h1-4,12H2.
What are the key properties of 2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone has a molecular weight of 249.20 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 64576946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).