1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-1,2,4-triazole

C13H14FN3 — CID 23274489

IUPAC1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-1,2,4-triazole
SMILESFc1ccc(C2(Cn3cncn3)CCC2)cc1
InChIInChI=1S/C13H14FN3/c14-12-4-2-11(3-5-12)13(6-1-7-13)8-17-10-15-9-16-17/h2-5,9-10H,1,6-8H2
InChIKeyZBXWCTNPFZQLEZ-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.54
Rot. Bonds3

About 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-1,2,4-triazole

1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-1,2,4-triazole (PubChem CID 23274489) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-1,2,4-triazole
PubChem CID23274489
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-1,2,4-triazole
SMILESFc1ccc(C2(Cn3cncn3)CCC2)cc1
InChIInChI=1S/C13H14FN3/c14-12-4-2-11(3-5-12)13(6-1-7-13)8-17-10-15-9-16-17/h2-5,9-10H,1,6-8H2
InChIKeyZBXWCTNPFZQLEZ-UHFFFAOYSA-N
XLogP2.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-1,2,4-triazole?
The IUPAC name of 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-1,2,4-triazole (CID 23274489) is 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-1,2,4-triazole.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-1,2,4-triazole?
The canonical SMILES for 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-1,2,4-triazole is Fc1ccc(C2(Cn3cncn3)CCC2)cc1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-1,2,4-triazole?
The InChIKey is ZBXWCTNPFZQLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c14-12-4-2-11(3-5-12)13(6-1-7-13)8-17-10-15-9-16-17/h2-5,9-10H,1,6-8H2.
What are the key properties of 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-1,2,4-triazole?
1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-1,2,4-triazole has a molecular weight of 231.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-1,2,4-triazole is sourced from PubChem (CID 23274489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).