4,4,4-trifluoro-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide

C11H17F3N4O — CID 118778679

IUPAC4,4,4-trifluoro-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide
SMILESCC(C)n1cnnc1CCNC(=O)CCC(F)(F)F
InChIInChI=1S/C11H17F3N4O/c1-8(2)18-7-16-17-9(18)4-6-15-10(19)3-5-11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,19)
InChIKeyOABJAUBKMJMDSA-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.86
Rot. Bonds6

About 4,4,4-trifluoro-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide

4,4,4-trifluoro-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide (PubChem CID 118778679) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide
PubChem CID118778679
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name4,4,4-trifluoro-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide
SMILESCC(C)n1cnnc1CCNC(=O)CCC(F)(F)F
InChIInChI=1S/C11H17F3N4O/c1-8(2)18-7-16-17-9(18)4-6-15-10(19)3-5-11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,19)
InChIKeyOABJAUBKMJMDSA-UHFFFAOYSA-N
XLogP1.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4,4-trifluoro-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]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-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide (CID 118778679) is 4,4,4-trifluoro-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide is CC(C)n1cnnc1CCNC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide?
The InChIKey is OABJAUBKMJMDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-8(2)18-7-16-17-9(18)4-6-15-10(19)3-5-11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,19).
What are the key properties of 4,4,4-trifluoro-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide?
4,4,4-trifluoro-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide has a molecular weight of 278.28 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide is sourced from PubChem (CID 118778679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).