3,5-dithiophen-2-yl-1,2,4-triazol-4-amine

C10H8N4S2 — CID 3822215

IUPAC3,5-dithiophen-2-yl-1,2,4-triazol-4-amine
SMILESNn1c(-c2cccs2)nnc1-c1cccs1
InChIInChI=1S/C10H8N4S2/c11-14-9(7-3-1-5-15-7)12-13-10(14)8-4-2-6-16-8/h1-6H,11H2
InChIKeyQPJCHKDJMGRDEE-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.45
Rot. Bonds2

About 3,5-dithiophen-2-yl-1,2,4-triazol-4-amine

3,5-dithiophen-2-yl-1,2,4-triazol-4-amine (PubChem CID 3822215) has the molecular formula C10H8N4S2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 3,5-dithiophen-2-yl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3,5-dithiophen-2-yl-1,2,4-triazol-4-amine
PubChem CID3822215
Molecular FormulaC10H8N4S2
Molecular Weight248.34 g/mol
Exact Mass248.02
IUPAC Name3,5-dithiophen-2-yl-1,2,4-triazol-4-amine
SMILESNn1c(-c2cccs2)nnc1-c1cccs1
InChIInChI=1S/C10H8N4S2/c11-14-9(7-3-1-5-15-7)12-13-10(14)8-4-2-6-16-8/h1-6H,11H2
InChIKeyQPJCHKDJMGRDEE-UHFFFAOYSA-N
XLogP2.45
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dithiophen-2-yl-1,2,4-triazol-4-amine?
The IUPAC name of 3,5-dithiophen-2-yl-1,2,4-triazol-4-amine (CID 3822215) is 3,5-dithiophen-2-yl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3,5-dithiophen-2-yl-1,2,4-triazol-4-amine?
The canonical SMILES for 3,5-dithiophen-2-yl-1,2,4-triazol-4-amine is Nn1c(-c2cccs2)nnc1-c1cccs1.
What is the InChIKey of 3,5-dithiophen-2-yl-1,2,4-triazol-4-amine?
The InChIKey is QPJCHKDJMGRDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S2/c11-14-9(7-3-1-5-15-7)12-13-10(14)8-4-2-6-16-8/h1-6H,11H2.
What are the key properties of 3,5-dithiophen-2-yl-1,2,4-triazol-4-amine?
3,5-dithiophen-2-yl-1,2,4-triazol-4-amine has a molecular weight of 248.34 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dithiophen-2-yl-1,2,4-triazol-4-amine is sourced from PubChem (CID 3822215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).