4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide

C11H13F3N6O2 — CID 110932856

IUPAC4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
SMILESCc1nc(NC(=O)CC(O)(c2nccn2C)C(F)(F)F)n[nH]1
InChIInChI=1S/C11H13F3N6O2/c1-6-16-9(19-18-6)17-7(21)5-10(22,11(12,13)14)8-15-3-4-20(8)2/h3-4,22H,5H2,1-2H3,(H2,16,17,18,19,21)
InChIKeyPEMZKXQVFYRFGR-UHFFFAOYSA-N
MW318.26 g/mol
LogP0.63
Rot. Bonds4

About 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide

4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide (PubChem CID 110932856) has the molecular formula C11H13F3N6O2 and a molecular weight of 318.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
PubChem CID110932856
Molecular FormulaC11H13F3N6O2
Molecular Weight318.26 g/mol
Exact Mass318.11
IUPAC Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
SMILESCc1nc(NC(=O)CC(O)(c2nccn2C)C(F)(F)F)n[nH]1
InChIInChI=1S/C11H13F3N6O2/c1-6-16-9(19-18-6)17-7(21)5-10(22,11(12,13)14)8-15-3-4-20(8)2/h3-4,22H,5H2,1-2H3,(H2,16,17,18,19,21)
InChIKeyPEMZKXQVFYRFGR-UHFFFAOYSA-N
XLogP0.63
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide 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 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide (CID 110932856) is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide is Cc1nc(NC(=O)CC(O)(c2nccn2C)C(F)(F)F)n[nH]1.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide?
The InChIKey is PEMZKXQVFYRFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6O2/c1-6-16-9(19-18-6)17-7(21)5-10(22,11(12,13)14)8-15-3-4-20(8)2/h3-4,22H,5H2,1-2H3,(H2,16,17,18,19,21).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide?
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide has a molecular weight of 318.26 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide is sourced from PubChem (CID 110932856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).