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

C11H17F3N4 — CID 79266675

IUPACN-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCc1nnc(CNCC(F)(F)F)n1C1CCCC1
InChIInChI=1S/C11H17F3N4/c1-8-16-17-10(6-15-7-11(12,13)14)18(8)9-4-2-3-5-9/h9,15H,2-7H2,1H3
InChIKeyWFNIFMHSWCCNDF-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.35
Rot. Bonds4

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

N-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 79266675) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is N-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID79266675
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC NameN-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCc1nnc(CNCC(F)(F)F)n1C1CCCC1
InChIInChI=1S/C11H17F3N4/c1-8-16-17-10(6-15-7-11(12,13)14)18(8)9-4-2-3-5-9/h9,15H,2-7H2,1H3
InChIKeyWFNIFMHSWCCNDF-UHFFFAOYSA-N
XLogP2.35
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]cyclopentanamine
CID 50954666
3,5-dimethyl-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-1,2,4-triazole
CID 52191572
cis-3-(4-ethyl-5-{[methyl(2,2,2-trifluoroethyl)amino]methyl}-4H-1,2,4-triazol-3-yl)cyclobutanamine
CID 91780298
4-[3-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]piperidine
CID 52988033
4-[3-(1,1-Difluoroethyl)-5-methyl-1,2,4-triazol-4-yl]piperidin
CID 59287293
[(1R)-1-[4-ethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]azanium
CID 59438764
(1R)-1-[4-ethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanamine
CID 59438765
[2-Hexyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methanamine;dihydrochloride
CID 66759897
[2-Hexyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methanamine
CID 66759898
(1S,3R)-3-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]cyclohexan-1-amine
CID 67490942
1-[4-Ethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanamine;hydrochloride
CID 68476482
1-[4-Ethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanamine
CID 68476483

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoroethanamine (CID 79266675) is N-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoroethanamine is Cc1nnc(CNCC(F)(F)F)n1C1CCCC1.
What is the InChIKey of N-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is WFNIFMHSWCCNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-8-16-17-10(6-15-7-11(12,13)14)18(8)9-4-2-3-5-9/h9,15H,2-7H2,1H3.
What are the key properties of N-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 262.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 79266675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).