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

C13H15N5S — CID 114356358

IUPACN-ethyl-1-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
SMILESCCNC(C)c1nn2c(-c3ccccc3)nnc2s1
InChIInChI=1S/C13H15N5S/c1-3-14-9(2)12-17-18-11(15-16-13(18)19-12)10-7-5-4-6-8-10/h4-9,14H,3H2,1-2H3
InChIKeySDGNHFIFSRYQMC-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.52
Rot. Bonds4

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

N-ethyl-1-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine (PubChem CID 114356358) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is N-ethyl-1-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
PubChem CID114356358
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC NameN-ethyl-1-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
SMILESCCNC(C)c1nn2c(-c3ccccc3)nnc2s1
InChIInChI=1S/C13H15N5S/c1-3-14-9(2)12-17-18-11(15-16-13(18)19-12)10-7-5-4-6-8-10/h4-9,14H,3H2,1-2H3
InChIKeySDGNHFIFSRYQMC-UHFFFAOYSA-N
XLogP2.52
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine?
The IUPAC name of N-ethyl-1-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine (CID 114356358) is N-ethyl-1-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine is CCNC(C)c1nn2c(-c3ccccc3)nnc2s1.
What is the InChIKey of N-ethyl-1-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine?
The InChIKey is SDGNHFIFSRYQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-3-14-9(2)12-17-18-11(15-16-13(18)19-12)10-7-5-4-6-8-10/h4-9,14H,3H2,1-2H3.
What are the key properties of N-ethyl-1-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine?
N-ethyl-1-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine has a molecular weight of 273.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine is sourced from PubChem (CID 114356358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).