2-methyl-N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide

C8H11F3N4O — CID 166528986

IUPAC2-methyl-N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide
SMILESCC(C)C(=O)Nc1ncn(CC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O/c1-5(2)6(16)13-7-12-4-15(14-7)3-8(9,10)11/h4-5H,3H2,1-2H3,(H,13,14,16)
InChIKeyLPZOVAKTYKJKNZ-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.43
Rot. Bonds3

About 2-methyl-N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide

2-methyl-N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide (PubChem CID 166528986) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 2-methyl-N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide
PubChem CID166528986
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name2-methyl-N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide
SMILESCC(C)C(=O)Nc1ncn(CC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O/c1-5(2)6(16)13-7-12-4-15(14-7)3-8(9,10)11/h4-5H,3H2,1-2H3,(H,13,14,16)
InChIKeyLPZOVAKTYKJKNZ-UHFFFAOYSA-N
XLogP1.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide (CID 166528986) is 2-methyl-N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide is CC(C)C(=O)Nc1ncn(CC(F)(F)F)n1.
What is the InChIKey of 2-methyl-N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide?
The InChIKey is LPZOVAKTYKJKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-5(2)6(16)13-7-12-4-15(14-7)3-8(9,10)11/h4-5H,3H2,1-2H3,(H,13,14,16).
What are the key properties of 2-methyl-N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide?
2-methyl-N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide has a molecular weight of 236.20 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide is sourced from PubChem (CID 166528986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).