5-bromo-1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine

C5H5BrN6S — CID 130856065

IUPAC5-bromo-1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine
SMILESNc1nc(Br)n(Cc2cnsn2)n1
InChIInChI=1S/C5H5BrN6S/c6-4-9-5(7)10-12(4)2-3-1-8-13-11-3/h1H,2H2,(H2,7,10)
InChIKeyGBEMGCRJMOVTGS-UHFFFAOYSA-N
MW261.11 g/mol
LogP0.52
Rot. Bonds2

About 5-bromo-1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine

5-bromo-1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine (PubChem CID 130856065) has the molecular formula C5H5BrN6S and a molecular weight of 261.11 g/mol. Its IUPAC name is 5-bromo-1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine
PubChem CID130856065
Molecular FormulaC5H5BrN6S
Molecular Weight261.11 g/mol
Exact Mass259.95
IUPAC Name5-bromo-1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine
SMILESNc1nc(Br)n(Cc2cnsn2)n1
InChIInChI=1S/C5H5BrN6S/c6-4-9-5(7)10-12(4)2-3-1-8-13-11-3/h1H,2H2,(H2,7,10)
InChIKeyGBEMGCRJMOVTGS-UHFFFAOYSA-N
XLogP0.52
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-bromo-1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

[1-[2-(1,2,4-Triazol-1-yl)ethyl]triazol-4-yl]methanamine
CID 62448120
1-Methyl-4-(1,2,4-triazol-1-ylmethyl)triazole
CID 103866322
1-[(1-Methyl-1H-1,2,3-triazol-4-yl)methyl]-1H-1,2,4-triazol-3-amine
CID 107042817
5-Bromo-1-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]-1H-1,2,4-triazol-3-amine
CID 107042876
1-[(2-Methyl-2H-1,2,3-triazol-4-yl)methyl]-1H-1,2,4-triazol-3-amine
CID 130591851
5-Bromo-1-[(2-methyl-2H-1,2,3-triazol-4-yl)methyl]-1H-1,2,4-triazol-3-amine
CID 130591855
1-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 130645832
4-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 130736276
1-[1-(1,2,5-Thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
CID 130815322
[1-(1,2,5-Thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]methanamine
CID 130856059
2-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 131182974
3-(1,2,4-Triazol-1-ylmethyl)-1,2,5-thiadiazole
CID 131219603

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine (CID 130856065) is 5-bromo-1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine is Nc1nc(Br)n(Cc2cnsn2)n1.
What is the InChIKey of 5-bromo-1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine?
The InChIKey is GBEMGCRJMOVTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN6S/c6-4-9-5(7)10-12(4)2-3-1-8-13-11-3/h1H,2H2,(H2,7,10).
What are the key properties of 5-bromo-1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine?
5-bromo-1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine has a molecular weight of 261.11 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 130856065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).