2-[4-(hydroxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C7H9F3N4O2 — CID 62399774

IUPAC2-[4-(hydroxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cc(CO)nn1)NCC(F)(F)F
InChIInChI=1S/C7H9F3N4O2/c8-7(9,10)4-11-6(16)2-14-1-5(3-15)12-13-14/h1,15H,2-4H2,(H,11,16)
InChIKeyOCSSRIJEQISXQQ-UHFFFAOYSA-N
MW238.17 g/mol
LogP-0.55
Rot. Bonds4

About 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(hydroxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 62399774) has the molecular formula C7H9F3N4O2 and a molecular weight of 238.17 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID62399774
Molecular FormulaC7H9F3N4O2
Molecular Weight238.17 g/mol
Exact Mass238.07
IUPAC Name2-[4-(hydroxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cc(CO)nn1)NCC(F)(F)F
InChIInChI=1S/C7H9F3N4O2/c8-7(9,10)4-11-6(16)2-14-1-5(3-15)12-13-14/h1,15H,2-4H2,(H,11,16)
InChIKeyOCSSRIJEQISXQQ-UHFFFAOYSA-N
XLogP-0.55
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 ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 62399774) is 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1cc(CO)nn1)NCC(F)(F)F.
What is the InChIKey of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OCSSRIJEQISXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O2/c8-7(9,10)4-11-6(16)2-14-1-5(3-15)12-13-14/h1,15H,2-4H2,(H,11,16).
What are the key properties of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(hydroxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 238.17 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 62399774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).