2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide

C8H12F3N5O — CID 55006974

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C8H12F3N5O/c1-2-15(4-8(9,10)11)6(17)3-16-5-13-7(12)14-16/h5H,2-4H2,1H3,(H2,12,14)
InChIKeySMKDQCMMOQGILU-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.27
Rot. Bonds4

About 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55006974) has the molecular formula C8H12F3N5O and a molecular weight of 251.21 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55006974
Molecular FormulaC8H12F3N5O
Molecular Weight251.21 g/mol
Exact Mass251.10
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C8H12F3N5O/c1-2-15(4-8(9,10)11)6(17)3-16-5-13-7(12)14-16/h5H,2-4H2,1H3,(H2,12,14)
InChIKeySMKDQCMMOQGILU-UHFFFAOYSA-N
XLogP0.27
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide (CID 55006974) is 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide is CCN(CC(F)(F)F)C(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is SMKDQCMMOQGILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5O/c1-2-15(4-8(9,10)11)6(17)3-16-5-13-7(12)14-16/h5H,2-4H2,1H3,(H2,12,14).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 251.21 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55006974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).