N-[[1-(1,2-dihydroxyethyl)triazol-4-yl]methyl]-2,2,2-trifluoroacetamide

C7H9F3N4O3 — CID 134574209

IUPACN-[[1-(1,2-dihydroxyethyl)triazol-4-yl]methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCc1cn(C(O)CO)nn1)C(F)(F)F
InChIInChI=1S/C7H9F3N4O3/c8-7(9,10)6(17)11-1-4-2-14(13-12-4)5(16)3-15/h2,5,15-16H,1,3H2,(H,11,17)
InChIKeyOAYUOKRFOSZYIN-UHFFFAOYSA-N
MW254.17 g/mol
LogP-1.06
Rot. Bonds4

About N-[[1-(1,2-dihydroxyethyl)triazol-4-yl]methyl]-2,2,2-trifluoroacetamide

N-[[1-(1,2-dihydroxyethyl)triazol-4-yl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 134574209) has the molecular formula C7H9F3N4O3 and a molecular weight of 254.17 g/mol. Its IUPAC name is N-[[1-(1,2-dihydroxyethyl)triazol-4-yl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[1-(1,2-dihydroxyethyl)triazol-4-yl]methyl]-2,2,2-trifluoroacetamide
PubChem CID134574209
Molecular FormulaC7H9F3N4O3
Molecular Weight254.17 g/mol
Exact Mass254.06
IUPAC NameN-[[1-(1,2-dihydroxyethyl)triazol-4-yl]methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCc1cn(C(O)CO)nn1)C(F)(F)F
InChIInChI=1S/C7H9F3N4O3/c8-7(9,10)6(17)11-1-4-2-14(13-12-4)5(16)3-15/h2,5,15-16H,1,3H2,(H,11,17)
InChIKeyOAYUOKRFOSZYIN-UHFFFAOYSA-N
XLogP-1.06
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,2-dihydroxyethyl)triazol-4-yl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[1-(1,2-dihydroxyethyl)triazol-4-yl]methyl]-2,2,2-trifluoroacetamide (CID 134574209) is N-[[1-(1,2-dihydroxyethyl)triazol-4-yl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[1-(1,2-dihydroxyethyl)triazol-4-yl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[1-(1,2-dihydroxyethyl)triazol-4-yl]methyl]-2,2,2-trifluoroacetamide is O=C(NCc1cn(C(O)CO)nn1)C(F)(F)F.
What is the InChIKey of N-[[1-(1,2-dihydroxyethyl)triazol-4-yl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is OAYUOKRFOSZYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O3/c8-7(9,10)6(17)11-1-4-2-14(13-12-4)5(16)3-15/h2,5,15-16H,1,3H2,(H,11,17).
What are the key properties of N-[[1-(1,2-dihydroxyethyl)triazol-4-yl]methyl]-2,2,2-trifluoroacetamide?
N-[[1-(1,2-dihydroxyethyl)triazol-4-yl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 254.17 g/mol, XLogP of -1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,2-dihydroxyethyl)triazol-4-yl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 134574209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).