2-[1-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide

C12H17F3N4O — CID 72842108

IUPAC2-[1-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
SMILESNC(=O)Cc1nc(CC(F)(F)F)n(C2CCCCC2)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)7-11-17-10(6-9(16)20)18-19(11)8-4-2-1-3-5-8/h8H,1-7H2,(H2,16,20)
InChIKeySFEVCJJGXCIBNC-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.92
Rot. Bonds4

About 2-[1-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide

2-[1-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 72842108) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[1-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
PubChem CID72842108
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-[1-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
SMILESNC(=O)Cc1nc(CC(F)(F)F)n(C2CCCCC2)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)7-11-17-10(6-9(16)20)18-19(11)8-4-2-1-3-5-8/h8H,1-7H2,(H2,16,20)
InChIKeySFEVCJJGXCIBNC-UHFFFAOYSA-N
XLogP1.92
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[2-(2-Oxoazepan-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
CID 131900976
N-[(1S,3R)-3-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]cyclohexyl]acetamide
CID 69756727
N-(4,4-difluorocyclohexyl)-5-methyl-2-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 175395413
N-(4,4-difluorocyclohexyl)-2-ethyl-5-methyl-1,2,4-triazole-3-carboxamide
CID 175397165
N-(4,4-difluorocyclohexyl)-2-(2-fluoroethyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 175397193
N-(4,4-difluorocyclohexyl)-2-(3-fluoropropyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 175397417
1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 72141948
1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 96016992
1-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 96016994
2-[5-(Azepan-1-ylmethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
CID 131928751
2-[5-(2-Cyclopentylethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
CID 131943763
2-[1,5-Di(propan-2-yl)-1,2,4-triazol-3-yl]acetamide
CID 58204568

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide (CID 72842108) is 2-[1-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide is NC(=O)Cc1nc(CC(F)(F)F)n(C2CCCCC2)n1.
What is the InChIKey of 2-[1-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is SFEVCJJGXCIBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)7-11-17-10(6-9(16)20)18-19(11)8-4-2-1-3-5-8/h8H,1-7H2,(H2,16,20).
What are the key properties of 2-[1-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
2-[1-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 290.29 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclohexyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 72842108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).