5-(6-fluoro-1-benzothiophen-2-yl)-1H-1,2,4-triazol-3-amine

C10H7FN4S — CID 81104224

IUPAC5-(6-fluoro-1-benzothiophen-2-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2cc3ccc(F)cc3s2)n1
InChIInChI=1S/C10H7FN4S/c11-6-2-1-5-3-8(16-7(5)4-6)9-13-10(12)15-14-9/h1-4H,(H3,12,13,14,15)
InChIKeyVTYYWDWMUBRDFJ-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.41
Rot. Bonds1

About 5-(6-fluoro-1-benzothiophen-2-yl)-1H-1,2,4-triazol-3-amine

5-(6-fluoro-1-benzothiophen-2-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 81104224) has the molecular formula C10H7FN4S and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-(6-fluoro-1-benzothiophen-2-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(6-fluoro-1-benzothiophen-2-yl)-1H-1,2,4-triazol-3-amine
PubChem CID81104224
Molecular FormulaC10H7FN4S
Molecular Weight234.26 g/mol
Exact Mass234.04
IUPAC Name5-(6-fluoro-1-benzothiophen-2-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2cc3ccc(F)cc3s2)n1
InChIInChI=1S/C10H7FN4S/c11-6-2-1-5-3-8(16-7(5)4-6)9-13-10(12)15-14-9/h1-4H,(H3,12,13,14,15)
InChIKeyVTYYWDWMUBRDFJ-UHFFFAOYSA-N
XLogP2.41
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1-benzothiophen-2-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(6-fluoro-1-benzothiophen-2-yl)-1H-1,2,4-triazol-3-amine (CID 81104224) is 5-(6-fluoro-1-benzothiophen-2-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(6-fluoro-1-benzothiophen-2-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(6-fluoro-1-benzothiophen-2-yl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2cc3ccc(F)cc3s2)n1.
What is the InChIKey of 5-(6-fluoro-1-benzothiophen-2-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is VTYYWDWMUBRDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4S/c11-6-2-1-5-3-8(16-7(5)4-6)9-13-10(12)15-14-9/h1-4H,(H3,12,13,14,15).
What are the key properties of 5-(6-fluoro-1-benzothiophen-2-yl)-1H-1,2,4-triazol-3-amine?
5-(6-fluoro-1-benzothiophen-2-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 234.26 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-1-benzothiophen-2-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 81104224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).