2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine;hydrochloride

C5H8ClN5S — CID 52983646

IUPAC2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine;hydrochloride
SMILESCl.NCCc1nn2cnnc2s1
InChIInChI=1S/C5H7N5S.ClH/c6-2-1-4-9-10-3-7-8-5(10)11-4;/h3H,1-2,6H2;1H
InChIKeyABQHTRBCAAVSLE-UHFFFAOYSA-N
MW205.67 g/mol
LogP0.11
Rot. Bonds2

About 2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine;hydrochloride

2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine;hydrochloride (PubChem CID 52983646) has the molecular formula C5H8ClN5S and a molecular weight of 205.67 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine;hydrochloride
PubChem CID52983646
Molecular FormulaC5H8ClN5S
Molecular Weight205.67 g/mol
Exact Mass205.02
IUPAC Name2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine;hydrochloride
SMILESCl.NCCc1nn2cnnc2s1
InChIInChI=1S/C5H7N5S.ClH/c6-2-1-4-9-10-3-7-8-5(10)11-4;/h3H,1-2,6H2;1H
InChIKeyABQHTRBCAAVSLE-UHFFFAOYSA-N
XLogP0.11
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine;hydrochloride 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 2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine;hydrochloride?
The IUPAC name of 2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine;hydrochloride (CID 52983646) is 2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine;hydrochloride is Cl.NCCc1nn2cnnc2s1.
What is the InChIKey of 2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine;hydrochloride?
The InChIKey is ABQHTRBCAAVSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5S.ClH/c6-2-1-4-9-10-3-7-8-5(10)11-4;/h3H,1-2,6H2;1H.
What are the key properties of 2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine;hydrochloride?
2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine;hydrochloride has a molecular weight of 205.67 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine;hydrochloride is sourced from PubChem (CID 52983646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).