2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C11H17F3N4O — CID 71974203

IUPAC2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCc1nc(CC)n(CC(=O)N(C)CC(F)(F)F)n1
InChIInChI=1S/C11H17F3N4O/c1-4-8-15-9(5-2)18(16-8)6-10(19)17(3)7-11(12,13)14/h4-7H2,1-3H3
InChIKeySJWIFXSILMPTPX-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.42
Rot. Bonds5

About 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71974203) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71974203
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCc1nc(CC)n(CC(=O)N(C)CC(F)(F)F)n1
InChIInChI=1S/C11H17F3N4O/c1-4-8-15-9(5-2)18(16-8)6-10(19)17(3)7-11(12,13)14/h4-7H2,1-3H3
InChIKeySJWIFXSILMPTPX-UHFFFAOYSA-N
XLogP1.42
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-diethyl-1,2,4-triazol-1-yl)-N,N-diethylacetamide
CID 71974205
1-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propan-1-one
CID 68388060
1-[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone
CID 89583847
1-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone
CID 89583881
1-[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propan-1-one
CID 89983881
2-[5-Methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
CID 117913565
2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-methyl-N-(2-piperidin-1-ylethyl)acetamide
CID 46981475
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47284794
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55038292
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2,2,2-trifluoro-N-methylacetamide
CID 60707623
2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 63332288
2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71980989

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 71974203) is 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CCc1nc(CC)n(CC(=O)N(C)CC(F)(F)F)n1.
What is the InChIKey of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is SJWIFXSILMPTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-4-8-15-9(5-2)18(16-8)6-10(19)17(3)7-11(12,13)14/h4-7H2,1-3H3.
What are the key properties of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 278.28 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71974203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).