N-ethyl-N-[[6-(1-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanamine

C17H23N5S — CID 51370349

IUPACN-ethyl-N-[[6-(1-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanamine
SMILESCCC(c1ccccc1)c1nn2c(CN(CC)CC)nnc2s1
InChIInChI=1S/C17H23N5S/c1-4-14(13-10-8-7-9-11-13)16-20-22-15(12-21(5-2)6-3)18-19-17(22)23-16/h7-11,14H,4-6,12H2,1-3H3
InChIKeyUSZQIAZRTXTUMU-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.57
Rot. Bonds7

About N-ethyl-N-[[6-(1-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanamine

N-ethyl-N-[[6-(1-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanamine (PubChem CID 51370349) has the molecular formula C17H23N5S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-ethyl-N-[[6-(1-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[6-(1-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanamine
PubChem CID51370349
Molecular FormulaC17H23N5S
Molecular Weight329.47 g/mol
Exact Mass329.17
IUPAC NameN-ethyl-N-[[6-(1-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanamine
SMILESCCC(c1ccccc1)c1nn2c(CN(CC)CC)nnc2s1
InChIInChI=1S/C17H23N5S/c1-4-14(13-10-8-7-9-11-13)16-20-22-15(12-21(5-2)6-3)18-19-17(22)23-16/h7-11,14H,4-6,12H2,1-3H3
InChIKeyUSZQIAZRTXTUMU-UHFFFAOYSA-N
XLogP3.57
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-ethyl-N-[[6-(1-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-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-ethyl-N-[[6-(1-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[6-(1-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanamine (CID 51370349) is N-ethyl-N-[[6-(1-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[6-(1-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[6-(1-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanamine is CCC(c1ccccc1)c1nn2c(CN(CC)CC)nnc2s1.
What is the InChIKey of N-ethyl-N-[[6-(1-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanamine?
The InChIKey is USZQIAZRTXTUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5S/c1-4-14(13-10-8-7-9-11-13)16-20-22-15(12-21(5-2)6-3)18-19-17(22)23-16/h7-11,14H,4-6,12H2,1-3H3.
What are the key properties of N-ethyl-N-[[6-(1-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanamine?
N-ethyl-N-[[6-(1-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanamine has a molecular weight of 329.47 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[6-(1-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 51370349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).