2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C11H18F3N5O — CID 66191701

IUPAC2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(C)NCc1cn(CC(=O)NCC(F)(F)F)nn1
InChIInChI=1S/C11H18F3N5O/c1-10(2,3)16-4-8-5-19(18-17-8)6-9(20)15-7-11(12,13)14/h5,16H,4,6-7H2,1-3H3,(H,15,20)
InChIKeyFXAWMZPSFAKLCD-UHFFFAOYSA-N
MW293.29 g/mol
LogP0.84
Rot. Bonds5

About 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 66191701) has the molecular formula C11H18F3N5O and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID66191701
Molecular FormulaC11H18F3N5O
Molecular Weight293.29 g/mol
Exact Mass293.15
IUPAC Name2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(C)NCc1cn(CC(=O)NCC(F)(F)F)nn1
InChIInChI=1S/C11H18F3N5O/c1-10(2,3)16-4-8-5-19(18-17-8)6-9(20)15-7-11(12,13)14/h5,16H,4,6-7H2,1-3H3,(H,15,20)
InChIKeyFXAWMZPSFAKLCD-UHFFFAOYSA-N
XLogP0.84
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
CID 115459566
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 66193039
2-methyl-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66191690
2-(4-formyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 66215009
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 66191870
2-(4-phenyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 163355208
3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N,2,2-trimethylpropanamide
CID 106276726
6-[4-[(tert-butylamino)methyl]triazol-1-yl]hexan-1-ol
CID 107707372
1-[4-[(tert-butylamino)methyl]triazol-1-yl]propan-2-ol
CID 66193423
1-[4-[(tert-butylamino)methyl]triazol-1-yl]-2-methylbutan-2-ol
CID 114497656
2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine
CID 66191679
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 66191701) is 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CC(C)(C)NCc1cn(CC(=O)NCC(F)(F)F)nn1.
What is the InChIKey of 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FXAWMZPSFAKLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5O/c1-10(2,3)16-4-8-5-19(18-17-8)6-9(20)15-7-11(12,13)14/h5,16H,4,6-7H2,1-3H3,(H,15,20).
What are the key properties of 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 293.29 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 66191701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).