2-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)propanamide

C12H19F3N4O — CID 84597716

IUPAC2-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)propanamide
SMILESCC(C(=O)NC(CC(C)(C)C)C(F)(F)F)n1cncn1
InChIInChI=1S/C12H19F3N4O/c1-8(19-7-16-6-17-19)10(20)18-9(12(13,14)15)5-11(2,3)4/h6-9H,5H2,1-4H3,(H,18,20)
InChIKeyYGSRMVWLKUCFIV-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.32
Rot. Bonds4

About 2-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)propanamide

2-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)propanamide (PubChem CID 84597716) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)propanamide.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)propanamide
PubChem CID84597716
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name2-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)propanamide
SMILESCC(C(=O)NC(CC(C)(C)C)C(F)(F)F)n1cncn1
InChIInChI=1S/C12H19F3N4O/c1-8(19-7-16-6-17-19)10(20)18-9(12(13,14)15)5-11(2,3)4/h6-9H,5H2,1-4H3,(H,18,20)
InChIKeyYGSRMVWLKUCFIV-UHFFFAOYSA-N
XLogP2.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45823979
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
4,4,4-trifluoro-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]butanamide
CID 96559340
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
2-(1,2,4-triazol-1-yl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 52558046
2-(1,2,4-triazol-1-yl)-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 52558047
2-(1,2,4-triazol-1-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 52558048
2-(1,2,4-triazol-1-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 52558049
2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 53504985

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)propanamide?
The IUPAC name of 2-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)propanamide (CID 84597716) is 2-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)propanamide.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)propanamide?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)propanamide is CC(C(=O)NC(CC(C)(C)C)C(F)(F)F)n1cncn1.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)propanamide?
The InChIKey is YGSRMVWLKUCFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-8(19-7-16-6-17-19)10(20)18-9(12(13,14)15)5-11(2,3)4/h6-9H,5H2,1-4H3,(H,18,20).
What are the key properties of 2-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)propanamide?
2-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)propanamide has a molecular weight of 292.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)propanamide is sourced from PubChem (CID 84597716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).