N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide

C9H13F3N4O2 — CID 103915555

IUPACN-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(CCO)CC(F)(F)F)n1cncn1
InChIInChI=1S/C9H13F3N4O2/c1-7(16-6-13-5-14-16)8(18)15(2-3-17)4-9(10,11)12/h5-7,17H,2-4H2,1H3
InChIKeyGHYYEACGDSEFNI-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.22
Rot. Bonds5

About N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide

N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103915555) has the molecular formula C9H13F3N4O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103915555
Molecular FormulaC9H13F3N4O2
Molecular Weight266.22 g/mol
Exact Mass266.10
IUPAC NameN-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(CCO)CC(F)(F)F)n1cncn1
InChIInChI=1S/C9H13F3N4O2/c1-7(16-6-13-5-14-16)8(18)15(2-3-17)4-9(10,11)12/h5-7,17H,2-4H2,1H3
InChIKeyGHYYEACGDSEFNI-UHFFFAOYSA-N
XLogP0.22
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 103915555) is N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)N(CCO)CC(F)(F)F)n1cncn1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is GHYYEACGDSEFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2/c1-7(16-6-13-5-14-16)8(18)15(2-3-17)4-9(10,11)12/h5-7,17H,2-4H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 266.22 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103915555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).