5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine

C8H7N7S — CID 62794401

IUPAC5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2n[nH]c(-c3cccs3)n2)n1
InChIInChI=1S/C8H7N7S/c9-8-11-7(14-15-8)6-10-5(12-13-6)4-2-1-3-16-4/h1-3H,(H,10,12,13)(H3,9,11,14,15)
InChIKeyGUUCIOHCNCNJJZ-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.90
Rot. Bonds2

About 5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine

5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 62794401) has the molecular formula C8H7N7S and a molecular weight of 233.26 g/mol. Its IUPAC name is 5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine
PubChem CID62794401
Molecular FormulaC8H7N7S
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2n[nH]c(-c3cccs3)n2)n1
InChIInChI=1S/C8H7N7S/c9-8-11-7(14-15-8)6-10-5(12-13-6)4-2-1-3-16-4/h1-3H,(H,10,12,13)(H3,9,11,14,15)
InChIKeyGUUCIOHCNCNJJZ-UHFFFAOYSA-N
XLogP0.90
TPSA109.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-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

Frequently Asked Questions

What is the IUPAC name of 5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine (CID 62794401) is 5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2n[nH]c(-c3cccs3)n2)n1.
What is the InChIKey of 5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is GUUCIOHCNCNJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N7S/c9-8-11-7(14-15-8)6-10-5(12-13-6)4-2-1-3-16-4/h1-3H,(H,10,12,13)(H3,9,11,14,15).
What are the key properties of 5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine?
5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 233.26 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 62794401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).