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

C6H6F4N4O — CID 103733542

IUPAC2,2,3,3-tetrafluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCc1nc(NC(=O)C(F)(F)C(F)F)n[nH]1
InChIInChI=1S/C6H6F4N4O/c1-2-11-5(14-13-2)12-4(15)6(9,10)3(7)8/h3H,1H3,(H2,11,12,13,14,15)
InChIKeyIIZCUOGKCXJUJZ-UHFFFAOYSA-N
MW226.13 g/mol
LogP0.95
Rot. Bonds3

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

2,2,3,3-tetrafluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 103733542) has the molecular formula C6H6F4N4O and a molecular weight of 226.13 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID103733542
Molecular FormulaC6H6F4N4O
Molecular Weight226.13 g/mol
Exact Mass226.05
IUPAC Name2,2,3,3-tetrafluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCc1nc(NC(=O)C(F)(F)C(F)F)n[nH]1
InChIInChI=1S/C6H6F4N4O/c1-2-11-5(14-13-2)12-4(15)6(9,10)3(7)8/h3H,1H3,(H2,11,12,13,14,15)
InChIKeyIIZCUOGKCXJUJZ-UHFFFAOYSA-N
XLogP0.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.13
LogP ≤ 50.95
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-(5-methyl-1H-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

Related Compounds

N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide
CID 2427403
N-(3-methyl-1H-1,2,4-triazol-5-yl)acetamide
CID 433797
(2R)-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
CID 124507543
2-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]acetamide
CID 158918262
2,2,2-trifluoro-N-[5-[3-[(2,2,2-trifluoroacetyl)amino]-1H-1,2,4-triazol-5-yl]-4H-pyrazol-3-yl]acetamide
CID 160211371
2-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 167264753
N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 2426810
4,4,4-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-oxobutanamide
CID 21791687
3-methylsulfanyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 33504692
2-methylsulfanyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 36159209
N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide
CID 43021026
N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hexanamide
CID 43022521

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide (CID 103733542) is 2,2,3,3-tetrafluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide is Cc1nc(NC(=O)C(F)(F)C(F)F)n[nH]1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is IIZCUOGKCXJUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F4N4O/c1-2-11-5(14-13-2)12-4(15)6(9,10)3(7)8/h3H,1H3,(H2,11,12,13,14,15).
What are the key properties of 2,2,3,3-tetrafluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
2,2,3,3-tetrafluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 226.13 g/mol, XLogP of 0.95, 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-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 103733542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).