2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C10H16F3N5O — CID 47284794

IUPAC2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nnc(CN(C)CC(=O)NCC(F)(F)F)n1C
InChIInChI=1S/C10H16F3N5O/c1-7-15-16-8(18(7)3)4-17(2)5-9(19)14-6-10(11,12)13/h4-6H2,1-3H3,(H,14,19)
InChIKeyXREXEWMCLHKZHT-UHFFFAOYSA-N
MW279.27 g/mol
LogP0.23
Rot. Bonds5

About 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 47284794) has the molecular formula C10H16F3N5O and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID47284794
Molecular FormulaC10H16F3N5O
Molecular Weight279.27 g/mol
Exact Mass279.13
IUPAC Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nnc(CN(C)CC(=O)NCC(F)(F)F)n1C
InChIInChI=1S/C10H16F3N5O/c1-7-15-16-8(18(7)3)4-17(2)5-9(19)14-6-10(11,12)13/h4-6H2,1-3H3,(H,14,19)
InChIKeyXREXEWMCLHKZHT-UHFFFAOYSA-N
XLogP0.23
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 71974203
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2-sulfanylethyl)acetamide
CID 177680405
2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 25478098
1-[(4-Methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 86792368
N-(1,3-difluoro-2-methylpropan-2-yl)-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide
CID 14772881
2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 64576946
2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
CID 64579223
2-[3-(Fluoromethyl)-5-methyl-1,2,4-triazol-1-yl]acetamide
CID 68304550
3-(Trifluoromethyl)-6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one
CID 68520577
2-[5-Methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
CID 117913565
2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 47120536
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 47228654

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 47284794) is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide is Cc1nnc(CN(C)CC(=O)NCC(F)(F)F)n1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XREXEWMCLHKZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5O/c1-7-15-16-8(18(7)3)4-17(2)5-9(19)14-6-10(11,12)13/h4-6H2,1-3H3,(H,14,19).
What are the key properties of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 279.27 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 47284794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).