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

C6H7N5S — CID 61319979

IUPAC5-(5-aminothiophen-2-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ccc(N)s2)n1
InChIInChI=1S/C6H7N5S/c7-4-2-1-3(12-4)5-9-6(8)11-10-5/h1-2H,7H2,(H3,8,9,10,11)
InChIKeyUBOYQTGCQFXUJL-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.70
Rot. Bonds1

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

5-(5-aminothiophen-2-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 61319979) has the molecular formula C6H7N5S and a molecular weight of 181.22 g/mol. Its IUPAC name is 5-(5-aminothiophen-2-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(5-aminothiophen-2-yl)-1H-1,2,4-triazol-3-amine
PubChem CID61319979
Molecular FormulaC6H7N5S
Molecular Weight181.22 g/mol
Exact Mass181.04
IUPAC Name5-(5-aminothiophen-2-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ccc(N)s2)n1
InChIInChI=1S/C6H7N5S/c7-4-2-1-3(12-4)5-9-6(8)11-10-5/h1-2H,7H2,(H3,8,9,10,11)
InChIKeyUBOYQTGCQFXUJL-UHFFFAOYSA-N
XLogP0.70
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-aminothiophen-2-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(5-aminothiophen-2-yl)-1H-1,2,4-triazol-3-amine (CID 61319979) is 5-(5-aminothiophen-2-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(5-aminothiophen-2-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(5-aminothiophen-2-yl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2ccc(N)s2)n1.
What is the InChIKey of 5-(5-aminothiophen-2-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is UBOYQTGCQFXUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S/c7-4-2-1-3(12-4)5-9-6(8)11-10-5/h1-2H,7H2,(H3,8,9,10,11).
What are the key properties of 5-(5-aminothiophen-2-yl)-1H-1,2,4-triazol-3-amine?
5-(5-aminothiophen-2-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 181.22 g/mol, XLogP of 0.70, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-aminothiophen-2-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 61319979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).