2,2,3,3-tetrafluoro-N-(1H-1,2,4-triazol-5-yl)propanamide

C5H4F4N4O — CID 3094068

IUPAC2,2,3,3-tetrafluoro-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(Nc1ncn[nH]1)C(F)(F)C(F)F
InChIInChI=1S/C5H4F4N4O/c6-2(7)5(8,9)3(14)12-4-10-1-11-13-4/h1-2H,(H2,10,11,12,13,14)
InChIKeyKYEPABKMBWLEQE-UHFFFAOYSA-N
MW212.11 g/mol
LogP0.64
Rot. Bonds3

About 2,2,3,3-tetrafluoro-N-(1H-1,2,4-triazol-5-yl)propanamide

2,2,3,3-tetrafluoro-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 3094068) has the molecular formula C5H4F4N4O and a molecular weight of 212.11 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID3094068
Molecular FormulaC5H4F4N4O
Molecular Weight212.11 g/mol
Exact Mass212.03
IUPAC Name2,2,3,3-tetrafluoro-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(Nc1ncn[nH]1)C(F)(F)C(F)F
InChIInChI=1S/C5H4F4N4O/c6-2(7)5(8,9)3(14)12-4-10-1-11-13-4/h1-2H,(H2,10,11,12,13,14)
InChIKeyKYEPABKMBWLEQE-UHFFFAOYSA-N
XLogP0.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.11
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3-tetrafluoro-N-(1H-1,2,4-triazol-5-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 2,2,3,3-tetrafluoro-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 3094068) is 2,2,3,3-tetrafluoro-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(1H-1,2,4-triazol-5-yl)propanamide is O=C(Nc1ncn[nH]1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is KYEPABKMBWLEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4N4O/c6-2(7)5(8,9)3(14)12-4-10-1-11-13-4/h1-2H,(H2,10,11,12,13,14).
What are the key properties of 2,2,3,3-tetrafluoro-N-(1H-1,2,4-triazol-5-yl)propanamide?
2,2,3,3-tetrafluoro-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 212.11 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 3094068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).