2-(triazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C7H9F3N4O2 — CID 103755769

IUPAC2-(triazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(Cn1ccnn1)NCC(O)C(F)(F)F
InChIInChI=1S/C7H9F3N4O2/c8-7(9,10)5(15)3-11-6(16)4-14-2-1-12-13-14/h1-2,5,15H,3-4H2,(H,11,16)
InChIKeyNTRYJXUTXWNNCS-UHFFFAOYSA-N
MW238.17 g/mol
LogP-0.68
Rot. Bonds4

About 2-(triazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-(triazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103755769) has the molecular formula C7H9F3N4O2 and a molecular weight of 238.17 g/mol. Its IUPAC name is 2-(triazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(triazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103755769
Molecular FormulaC7H9F3N4O2
Molecular Weight238.17 g/mol
Exact Mass238.07
IUPAC Name2-(triazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(Cn1ccnn1)NCC(O)C(F)(F)F
InChIInChI=1S/C7H9F3N4O2/c8-7(9,10)5(15)3-11-6(16)4-14-2-1-12-13-14/h1-2,5,15H,3-4H2,(H,11,16)
InChIKeyNTRYJXUTXWNNCS-UHFFFAOYSA-N
XLogP-0.68
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(triazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(triazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103755769) is 2-(triazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(triazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(triazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is O=C(Cn1ccnn1)NCC(O)C(F)(F)F.
What is the InChIKey of 2-(triazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is NTRYJXUTXWNNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O2/c8-7(9,10)5(15)3-11-6(16)4-14-2-1-12-13-14/h1-2,5,15H,3-4H2,(H,11,16).
What are the key properties of 2-(triazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(triazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 238.17 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103755769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).