2,2,2-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C5H5F3N4O — CID 61000107

IUPAC2,2,2-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(NCc1ncn[nH]1)C(F)(F)F
InChIInChI=1S/C5H5F3N4O/c6-5(7,8)4(13)9-1-3-10-2-11-12-3/h2H,1H2,(H,9,13)(H,10,11,12)
InChIKeyUSUUUUIQGOIEEL-UHFFFAOYSA-N
MW194.12 g/mol
LogP-0.02
Rot. Bonds2

About 2,2,2-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2,2,2-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 61000107) has the molecular formula C5H5F3N4O and a molecular weight of 194.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID61000107
Molecular FormulaC5H5F3N4O
Molecular Weight194.12 g/mol
Exact Mass194.04
IUPAC Name2,2,2-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(NCc1ncn[nH]1)C(F)(F)F
InChIInChI=1S/C5H5F3N4O/c6-5(7,8)4(13)9-1-3-10-2-11-12-3/h2H,1H2,(H,9,13)(H,10,11,12)
InChIKeyUSUUUUIQGOIEEL-UHFFFAOYSA-N
XLogP-0.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 61000107) is 2,2,2-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is O=C(NCc1ncn[nH]1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is USUUUUIQGOIEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4O/c6-5(7,8)4(13)9-1-3-10-2-11-12-3/h2H,1H2,(H,9,13)(H,10,11,12).
What are the key properties of 2,2,2-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2,2,2-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 194.12 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 61000107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).