2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-triazin-3-yl)propanamide

C7H8F3N5O — CID 114387722

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-triazin-3-yl)propanamide
SMILESCC(N)(C(=O)Nc1nccnn1)C(F)(F)F
InChIInChI=1S/C7H8F3N5O/c1-6(11,7(8,9)10)4(16)14-5-12-2-3-13-15-5/h2-3H,11H2,1H3,(H,12,14,15,16)
InChIKeyZHXYENDEYSVESQ-UHFFFAOYSA-N
MW235.17 g/mol
LogP0.09
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-triazin-3-yl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-triazin-3-yl)propanamide (PubChem CID 114387722) has the molecular formula C7H8F3N5O and a molecular weight of 235.17 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-triazin-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-triazin-3-yl)propanamide
PubChem CID114387722
Molecular FormulaC7H8F3N5O
Molecular Weight235.17 g/mol
Exact Mass235.07
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-triazin-3-yl)propanamide
SMILESCC(N)(C(=O)Nc1nccnn1)C(F)(F)F
InChIInChI=1S/C7H8F3N5O/c1-6(11,7(8,9)10)4(16)14-5-12-2-3-13-15-5/h2-3H,11H2,1H3,(H,12,14,15,16)
InChIKeyZHXYENDEYSVESQ-UHFFFAOYSA-N
XLogP0.09
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.17
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-triazin-3-yl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-triazin-3-yl)propanamide (CID 114387722) is 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-triazin-3-yl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-triazin-3-yl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-triazin-3-yl)propanamide is CC(N)(C(=O)Nc1nccnn1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-triazin-3-yl)propanamide?
The InChIKey is ZHXYENDEYSVESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N5O/c1-6(11,7(8,9)10)4(16)14-5-12-2-3-13-15-5/h2-3H,11H2,1H3,(H,12,14,15,16).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-triazin-3-yl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-triazin-3-yl)propanamide has a molecular weight of 235.17 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-triazin-3-yl)propanamide is sourced from PubChem (CID 114387722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).