(2R)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide

C7H9F3N4O — CID 94069814

IUPAC(2R)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](C(=O)NCC(F)(F)F)n1cncn1
InChIInChI=1S/C7H9F3N4O/c1-5(14-4-11-3-13-14)6(15)12-2-7(8,9)10/h3-5H,2H2,1H3,(H,12,15)/t5-/m1/s1
InChIKeyRJVREDJTJQXSQS-RXMQYKEDSA-N
MW222.17 g/mol
LogP0.52
Rot. Bonds3

About (2R)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide

(2R)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 94069814) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is (2R)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID94069814
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name(2R)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](C(=O)NCC(F)(F)F)n1cncn1
InChIInChI=1S/C7H9F3N4O/c1-5(14-4-11-3-13-14)6(15)12-2-7(8,9)10/h3-5H,2H2,1H3,(H,12,15)/t5-/m1/s1
InChIKeyRJVREDJTJQXSQS-RXMQYKEDSA-N
XLogP0.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 45893430
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71898049
N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 42947749
N-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
CID 47839833
N-isopropyl-2-{[1-methyl-2-(1H-1,2,4-triazol-1-yl)ethyl]amino}acetamide
CID 56714239
2-(4-ethylpiperazin-1-yl)-N-[1-methyl-2-(1H-1,2,4-triazol-1-yl)ethyl]acetamide
CID 91788532
4,4,4-trifluoro-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]butanamide
CID 96559340
N-(2-fluoroethyl)-2-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 88390347
N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide
CID 167239470
2-(1H-1,2,4-triazol-1-yl)propanamide
CID 2768672
N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 43603376
N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 43603380

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2R)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 94069814) is (2R)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2R)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2R)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide is C[C@H](C(=O)NCC(F)(F)F)n1cncn1.
What is the InChIKey of (2R)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is RJVREDJTJQXSQS-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-5(14-4-11-3-13-14)6(15)12-2-7(8,9)10/h3-5H,2H2,1H3,(H,12,15)/t5-/m1/s1.
What are the key properties of (2R)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
(2R)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 222.17 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 94069814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).