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

C7H9F3N4O — CID 124507543

IUPAC(2R)-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCc1nc(NC(=O)[C@@H](C)C(F)(F)F)n[nH]1
InChIInChI=1S/C7H9F3N4O/c1-3(7(8,9)10)5(15)12-6-11-4(2)13-14-6/h3H,1-2H3,(H2,11,12,13,14,15)/t3-/m1/s1
InChIKeyOQTCOWFGLYWTFX-GSVOUGTGSA-N
MW222.17 g/mol
LogP1.25
Rot. Bonds2

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

(2R)-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 124507543) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID124507543
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name(2R)-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCc1nc(NC(=O)[C@@H](C)C(F)(F)F)n[nH]1
InChIInChI=1S/C7H9F3N4O/c1-3(7(8,9)10)5(15)12-6-11-4(2)13-14-6/h3H,1-2H3,(H2,11,12,13,14,15)/t3-/m1/s1
InChIKeyOQTCOWFGLYWTFX-GSVOUGTGSA-N
XLogP1.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of (2R)-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide (CID 124507543) is (2R)-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide is Cc1nc(NC(=O)[C@@H](C)C(F)(F)F)n[nH]1.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is OQTCOWFGLYWTFX-GSVOUGTGSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-3(7(8,9)10)5(15)12-6-11-4(2)13-14-6/h3H,1-2H3,(H2,11,12,13,14,15)/t3-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide?
(2R)-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 222.17 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 124507543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).