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

C8H11F3N4O2 — CID 113351085

IUPACN-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cncn1)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H11F3N4O2/c9-8(10,11)4-14(1-2-16)7(17)3-15-6-12-5-13-15/h5-6,16H,1-4H2
InChIKeyJEAVYSKFIKQJKH-UHFFFAOYSA-N
MW252.20 g/mol
LogP-0.34
Rot. Bonds5

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

N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 113351085) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID113351085
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC NameN-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cncn1)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H11F3N4O2/c9-8(10,11)4-14(1-2-16)7(17)3-15-6-12-5-13-15/h5-6,16H,1-4H2
InChIKeyJEAVYSKFIKQJKH-UHFFFAOYSA-N
XLogP-0.34
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 5-0.34
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)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 113351085) is N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1cncn1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JEAVYSKFIKQJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c9-8(10,11)4-14(1-2-16)7(17)3-15-6-12-5-13-15/h5-6,16H,1-4H2.
What are the key properties of N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 252.20 g/mol, XLogP of -0.34, 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)acetamide is sourced from PubChem (CID 113351085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).