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

C9H12F3N5O — CID 67289694

IUPAC2-[3-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
SMILESNC(=O)CN1CCn2c(nnc2CC(F)(F)F)C1
InChIInChI=1S/C9H12F3N5O/c10-9(11,12)3-7-14-15-8-5-16(4-6(13)18)1-2-17(7)8/h1-5H2,(H2,13,18)
InChIKeyMGYKPRWMSZNWKD-UHFFFAOYSA-N
MW263.22 g/mol
LogP-0.32
Rot. Bonds3

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

2-[3-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide (PubChem CID 67289694) has the molecular formula C9H12F3N5O and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-[3-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide.

Molecular Properties

Compound Name2-[3-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
PubChem CID67289694
Molecular FormulaC9H12F3N5O
Molecular Weight263.22 g/mol
Exact Mass263.10
IUPAC Name2-[3-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
SMILESNC(=O)CN1CCn2c(nnc2CC(F)(F)F)C1
InChIInChI=1S/C9H12F3N5O/c10-9(11,12)3-7-14-15-8-5-16(4-6(13)18)1-2-17(7)8/h1-5H2,(H2,13,18)
InChIKeyMGYKPRWMSZNWKD-UHFFFAOYSA-N
XLogP-0.32
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide?
The IUPAC name of 2-[3-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide (CID 67289694) is 2-[3-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide.
What is the SMILES notation for 2-[3-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide?
The canonical SMILES for 2-[3-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide is NC(=O)CN1CCn2c(nnc2CC(F)(F)F)C1.
What is the InChIKey of 2-[3-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide?
The InChIKey is MGYKPRWMSZNWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N5O/c10-9(11,12)3-7-14-15-8-5-16(4-6(13)18)1-2-17(7)8/h1-5H2,(H2,13,18).
What are the key properties of 2-[3-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide?
2-[3-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide has a molecular weight of 263.22 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide is sourced from PubChem (CID 67289694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).