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

C6H7F3N4O — CID 78928289

IUPAC3,3,3-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCc1nc(NC(=O)CC(F)(F)F)n[nH]1
InChIInChI=1S/C6H7F3N4O/c1-3-10-5(13-12-3)11-4(14)2-6(7,8)9/h2H2,1H3,(H2,10,11,12,13,14)
InChIKeyDAICRZIZANHEIU-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.00
Rot. Bonds2

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

3,3,3-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 78928289) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID78928289
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC Name3,3,3-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCc1nc(NC(=O)CC(F)(F)F)n[nH]1
InChIInChI=1S/C6H7F3N4O/c1-3-10-5(13-12-3)11-4(14)2-6(7,8)9/h2H2,1H3,(H2,10,11,12,13,14)
InChIKeyDAICRZIZANHEIU-UHFFFAOYSA-N
XLogP1.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide (CID 78928289) is 3,3,3-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide is Cc1nc(NC(=O)CC(F)(F)F)n[nH]1.
What is the InChIKey of 3,3,3-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is DAICRZIZANHEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O/c1-3-10-5(13-12-3)11-4(14)2-6(7,8)9/h2H2,1H3,(H2,10,11,12,13,14).
What are the key properties of 3,3,3-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
3,3,3-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 208.14 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 78928289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).