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

C7H9F3N4O — CID 167239470

IUPACN-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide
SMILESCCC(=O)Nc1ncn(CC(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c1-2-5(15)12-6-11-4-14(13-6)3-7(8,9)10/h4H,2-3H2,1H3,(H,12,13,15)
InChIKeyMNBBYWZJNCGMDF-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.19
Rot. Bonds3

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

N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide (PubChem CID 167239470) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide
PubChem CID167239470
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC NameN-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide
SMILESCCC(=O)Nc1ncn(CC(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c1-2-5(15)12-6-11-4-14(13-6)3-7(8,9)10/h4H,2-3H2,1H3,(H,12,13,15)
InChIKeyMNBBYWZJNCGMDF-UHFFFAOYSA-N
XLogP1.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide (CID 167239470) is N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide is CCC(=O)Nc1ncn(CC(F)(F)F)n1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide?
The InChIKey is MNBBYWZJNCGMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-2-5(15)12-6-11-4-14(13-6)3-7(8,9)10/h4H,2-3H2,1H3,(H,12,13,15).
What are the key properties of N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide?
N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide has a molecular weight of 222.17 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide is sourced from PubChem (CID 167239470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).