N-ethyl-5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine

C13H23F3N4 — CID 79953177

IUPACN-ethyl-5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
SMILESCCNC(CCC(F)(F)F)Cc1ncnn1CC(C)C
InChIInChI=1S/C13H23F3N4/c1-4-17-11(5-6-13(14,15)16)7-12-18-9-19-20(12)8-10(2)3/h9-11,17H,4-8H2,1-3H3
InChIKeyWQVHWTLRXWRBHZ-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.80
Rot. Bonds8

About N-ethyl-5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine

N-ethyl-5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine (PubChem CID 79953177) has the molecular formula C13H23F3N4 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-ethyl-5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
PubChem CID79953177
Molecular FormulaC13H23F3N4
Molecular Weight292.35 g/mol
Exact Mass292.19
IUPAC NameN-ethyl-5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
SMILESCCNC(CCC(F)(F)F)Cc1ncnn1CC(C)C
InChIInChI=1S/C13H23F3N4/c1-4-17-11(5-6-13(14,15)16)7-12-18-9-19-20(12)8-10(2)3/h9-11,17H,4-8H2,1-3H3
InChIKeyWQVHWTLRXWRBHZ-UHFFFAOYSA-N
XLogP2.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine?
The IUPAC name of N-ethyl-5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine (CID 79953177) is N-ethyl-5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine.
What is the SMILES notation for N-ethyl-5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine?
The canonical SMILES for N-ethyl-5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine is CCNC(CCC(F)(F)F)Cc1ncnn1CC(C)C.
What is the InChIKey of N-ethyl-5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine?
The InChIKey is WQVHWTLRXWRBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N4/c1-4-17-11(5-6-13(14,15)16)7-12-18-9-19-20(12)8-10(2)3/h9-11,17H,4-8H2,1-3H3.
What are the key properties of N-ethyl-5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine?
N-ethyl-5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine has a molecular weight of 292.35 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5,5-trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine is sourced from PubChem (CID 79953177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).