5-(3-fluorophenyl)-1H-1,2,4-triazole

C8H6FN3 — CID 53264352

IUPAC5-(3-fluorophenyl)-1H-1,2,4-triazole
SMILESFc1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C8H6FN3/c9-7-3-1-2-6(4-7)8-10-5-11-12-8/h1-5H,(H,10,11,12)
InChIKeyRFFDELXTQCRWKB-UHFFFAOYSA-N
MW163.16 g/mol
LogP1.61
Rot. Bonds1

About 5-(3-fluorophenyl)-1H-1,2,4-triazole

5-(3-fluorophenyl)-1H-1,2,4-triazole (PubChem CID 53264352) has the molecular formula C8H6FN3 and a molecular weight of 163.16 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-1H-1,2,4-triazole
PubChem CID53264352
Molecular FormulaC8H6FN3
Molecular Weight163.16 g/mol
Exact Mass163.05
IUPAC Name5-(3-fluorophenyl)-1H-1,2,4-triazole
SMILESFc1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C8H6FN3/c9-7-3-1-2-6(4-7)8-10-5-11-12-8/h1-5H,(H,10,11,12)
InChIKeyRFFDELXTQCRWKB-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.16
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(3-fluorophenyl)-1H-1,2,4-triazole (CID 53264352) is 5-(3-fluorophenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(3-fluorophenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(3-fluorophenyl)-1H-1,2,4-triazole is Fc1cccc(-c2ncn[nH]2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-1H-1,2,4-triazole?
The InChIKey is RFFDELXTQCRWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3/c9-7-3-1-2-6(4-7)8-10-5-11-12-8/h1-5H,(H,10,11,12).
What are the key properties of 5-(3-fluorophenyl)-1H-1,2,4-triazole?
5-(3-fluorophenyl)-1H-1,2,4-triazole has a molecular weight of 163.16 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 53264352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).