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

C11H15F3N4O — CID 52558048

IUPAC2-(1,2,4-triazol-1-yl)-N-[(1R,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-RKDXNWHRSA-N
MW276.26 g/mol
LogP1.52
Rot. Bonds3

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

2-(1,2,4-triazol-1-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 52558048) 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-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID52558048
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name2-(1,2,4-triazol-1-yl)-N-[(1R,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-RKDXNWHRSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(1,2,4-triazol-1-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide (CID 52558048) is 2-(1,2,4-triazol-1-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)-N-[(1R,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-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is FPGTXPYRCKDCFZ-RKDXNWHRSA-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-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide?
2-(1,2,4-triazol-1-yl)-N-[(1R,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-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 52558048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).