2,2,2-trifluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide

C5H5F3N4O2 — CID 137259105

IUPAC2,2,2-trifluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
SMILESO=C(NCc1n[nH]c(=O)[nH]1)C(F)(F)F
InChIInChI=1S/C5H5F3N4O2/c6-5(7,8)3(13)9-1-2-10-4(14)12-11-2/h1H2,(H,9,13)(H2,10,11,12,14)
InChIKeyLGUGULBEFBXZOZ-UHFFFAOYSA-N
MW210.11 g/mol
LogP-0.72
Rot. Bonds2

About 2,2,2-trifluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide

2,2,2-trifluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 137259105) has the molecular formula C5H5F3N4O2 and a molecular weight of 210.11 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID137259105
Molecular FormulaC5H5F3N4O2
Molecular Weight210.11 g/mol
Exact Mass210.04
IUPAC Name2,2,2-trifluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
SMILESO=C(NCc1n[nH]c(=O)[nH]1)C(F)(F)F
InChIInChI=1S/C5H5F3N4O2/c6-5(7,8)3(13)9-1-2-10-4(14)12-11-2/h1H2,(H,9,13)(H2,10,11,12,14)
InChIKeyLGUGULBEFBXZOZ-UHFFFAOYSA-N
XLogP-0.72
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide (CID 137259105) is 2,2,2-trifluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide is O=C(NCc1n[nH]c(=O)[nH]1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is LGUGULBEFBXZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4O2/c6-5(7,8)3(13)9-1-2-10-4(14)12-11-2/h1H2,(H,9,13)(H2,10,11,12,14).
What are the key properties of 2,2,2-trifluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 210.11 g/mol, XLogP of -0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 137259105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).