2-(1,2,4-triazol-1-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide

C11H15F3N4O — CID 52558049

IUPAC2-(1,2,4-triazol-1-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(Cn1cncn1)N[C@H]1CCCC[C@H]1C(F)(F)F
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)8-3-1-2-4-9(8)17-10(19)5-18-7-15-6-16-18/h6-9H,1-5H2,(H,17,19)/t8-,9+/m1/s1
InChIKeyFPGTXPYRCKDCFZ-BDAKNGLRSA-N
MW276.26 g/mol
LogP1.52
Rot. Bonds3

About 2-(1,2,4-triazol-1-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide

2-(1,2,4-triazol-1-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 52558049) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID52558049
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name2-(1,2,4-triazol-1-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(Cn1cncn1)N[C@H]1CCCC[C@H]1C(F)(F)F
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)8-3-1-2-4-9(8)17-10(19)5-18-7-15-6-16-18/h6-9H,1-5H2,(H,17,19)/t8-,9+/m1/s1
InChIKeyFPGTXPYRCKDCFZ-BDAKNGLRSA-N
XLogP1.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylcyclohexyl)-2-(tetrazol-1-yl)acetamide
CID 45810314
N-(dicyclopropylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 47020126
N'-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-N-(2-propan-2-ylcyclohexyl)oxamide
CID 75443568
(2R,3R)-2-methyl-N-[3,3,3-trifluoro-2-(1H-1,2,4-triazol-1-yl)propyl]piperidine-3-carboxamide
CID 132363988
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-[[(1S,3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone
CID 11716315
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-[[(1S,3R)-3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone
CID 58845502
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-[[(1R,3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone
CID 70255389
N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 43603376
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-(tetrazol-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 53527617

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(1,2,4-triazol-1-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide (CID 52558049) is 2-(1,2,4-triazol-1-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide is O=C(Cn1cncn1)N[C@H]1CCCC[C@H]1C(F)(F)F.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is FPGTXPYRCKDCFZ-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)8-3-1-2-4-9(8)17-10(19)5-18-7-15-6-16-18/h6-9H,1-5H2,(H,17,19)/t8-,9+/m1/s1.
What are the key properties of 2-(1,2,4-triazol-1-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide?
2-(1,2,4-triazol-1-yl)-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 276.26 g/mol, XLogP of 1.52, 3 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-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 52558049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).