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

C6H6N4S — CID 10797134

IUPAC5-thiophen-2-yl-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2cccs2)n1
InChIInChI=1S/C6H6N4S/c7-6-8-5(9-10-6)4-2-1-3-11-4/h1-3H,(H3,7,8,9,10)
InChIKeyXMLRXJVRTGHHIJ-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.12
Rot. Bonds1

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

5-thiophen-2-yl-1H-1,2,4-triazol-3-amine (PubChem CID 10797134) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is 5-thiophen-2-yl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-thiophen-2-yl-1H-1,2,4-triazol-3-amine
PubChem CID10797134
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name5-thiophen-2-yl-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2cccs2)n1
InChIInChI=1S/C6H6N4S/c7-6-8-5(9-10-6)4-2-1-3-11-4/h1-3H,(H3,7,8,9,10)
InChIKeyXMLRXJVRTGHHIJ-UHFFFAOYSA-N
XLogP1.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-thiophen-2-yl-1H-1,2,4-triazol-3-amine (CID 10797134) is 5-thiophen-2-yl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-thiophen-2-yl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-thiophen-2-yl-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2cccs2)n1.
What is the InChIKey of 5-thiophen-2-yl-1H-1,2,4-triazol-3-amine?
The InChIKey is XMLRXJVRTGHHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c7-6-8-5(9-10-6)4-2-1-3-11-4/h1-3H,(H3,7,8,9,10).
What are the key properties of 5-thiophen-2-yl-1H-1,2,4-triazol-3-amine?
5-thiophen-2-yl-1H-1,2,4-triazol-3-amine has a molecular weight of 166.21 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 10797134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).