N-[[5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine

C14H18F3N5O — CID 154786484

IUPACN-[[5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCCNCc1noc(Cn2nc(C(F)(F)F)c3c2CCCC3)n1
InChIInChI=1S/C14H18F3N5O/c1-2-18-7-11-19-12(23-21-11)8-22-10-6-4-3-5-9(10)13(20-22)14(15,16)17/h18H,2-8H2,1H3
InChIKeyDZKDRYOXQZVPEL-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.32
Rot. Bonds5

About N-[[5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine

N-[[5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine (PubChem CID 154786484) has the molecular formula C14H18F3N5O and a molecular weight of 329.33 g/mol. Its IUPAC name is N-[[5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine
PubChem CID154786484
Molecular FormulaC14H18F3N5O
Molecular Weight329.33 g/mol
Exact Mass329.15
IUPAC NameN-[[5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCCNCc1noc(Cn2nc(C(F)(F)F)c3c2CCCC3)n1
InChIInChI=1S/C14H18F3N5O/c1-2-18-7-11-19-12(23-21-11)8-22-10-6-4-3-5-9(10)13(20-22)14(15,16)17/h18H,2-8H2,1H3
InChIKeyDZKDRYOXQZVPEL-UHFFFAOYSA-N
XLogP2.32
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine (CID 154786484) is N-[[5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine is CCNCc1noc(Cn2nc(C(F)(F)F)c3c2CCCC3)n1.
What is the InChIKey of N-[[5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The InChIKey is DZKDRYOXQZVPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O/c1-2-18-7-11-19-12(23-21-11)8-22-10-6-4-3-5-9(10)13(20-22)14(15,16)17/h18H,2-8H2,1H3.
What are the key properties of N-[[5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
N-[[5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine has a molecular weight of 329.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 154786484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).