N-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine

C11H17F3N4 — CID 79266453

IUPACN-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C11H17F3N4/c12-11(13,14)7-15-6-9-16-10(18-17-9)8-4-2-1-3-5-8/h8,15H,1-7H2,(H,16,17,18)
InChIKeyXUZQLASXOLOADR-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.50
Rot. Bonds4

About N-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine

N-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 79266453) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is N-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID79266453
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC NameN-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C11H17F3N4/c12-11(13,14)7-15-6-9-16-10(18-17-9)8-4-2-1-3-5-8/h8,15H,1-7H2,(H,16,17,18)
InChIKeyXUZQLASXOLOADR-UHFFFAOYSA-N
XLogP2.50
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine (CID 79266453) is N-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCc1nc(C2CCCCC2)n[nH]1.
What is the InChIKey of N-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is XUZQLASXOLOADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c12-11(13,14)7-15-6-9-16-10(18-17-9)8-4-2-1-3-5-8/h8,15H,1-7H2,(H,16,17,18).
What are the key properties of N-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 262.28 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 79266453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).