[1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]methanamine

C6H8N6S — CID 130856059

IUPAC[1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]methanamine
SMILESNCc1ncn(Cc2cnsn2)n1
InChIInChI=1S/C6H8N6S/c7-1-6-8-4-12(10-6)3-5-2-9-13-11-5/h2,4H,1,3,7H2
InChIKeyLRAANQKFHZZZAO-UHFFFAOYSA-N
MW196.24 g/mol
LogP-0.36
Rot. Bonds3

About [1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]methanamine

[1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 130856059) has the molecular formula C6H8N6S and a molecular weight of 196.24 g/mol. Its IUPAC name is [1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID130856059
Molecular FormulaC6H8N6S
Molecular Weight196.24 g/mol
Exact Mass196.05
IUPAC Name[1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]methanamine
SMILESNCc1ncn(Cc2cnsn2)n1
InChIInChI=1S/C6H8N6S/c7-1-6-8-4-12(10-6)3-5-2-9-13-11-5/h2,4H,1,3,7H2
InChIKeyLRAANQKFHZZZAO-UHFFFAOYSA-N
XLogP-0.36
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]methanamine 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

1,2,4-Triazolyl-1,2,3-triazole
CID 18940321
3-(1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole
CID 57048643
1-Ethyl-3-(2-methyltriazol-4-yl)-1,2,4-triazole
CID 70250351
1-Methyl-3-[2-(4-methyltriazol-2-yl)ethyl]-1,2,4-triazole
CID 146512223
1-[4-(1,2,4-Triazol-1-ylmethyl)triazol-1-yl]ethanamine
CID 170026346
N-[[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 55072785
[1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methanamine
CID 62053950
[1-[2-(3,5-Dimethyl-1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine
CID 62446774
N-methyl-1-[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine
CID 62447374
N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62447558
[1-[2-(1,2,4-Triazol-1-yl)ethyl]triazol-4-yl]methanamine
CID 62448120
1-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62449026

Frequently Asked Questions

What is the IUPAC name of [1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]methanamine (CID 130856059) is [1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]methanamine is NCc1ncn(Cc2cnsn2)n1.
What is the InChIKey of [1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is LRAANQKFHZZZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6S/c7-1-6-8-4-12(10-6)3-5-2-9-13-11-5/h2,4H,1,3,7H2.
What are the key properties of [1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]methanamine?
[1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 196.24 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 130856059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).