1-[(4-fluorophenyl)methyl]-4-phenyltriazole

C15H12FN3 — CID 71519757

IUPAC1-[(4-fluorophenyl)methyl]-4-phenyltriazole
SMILESFc1ccc(Cn2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C15H12FN3/c16-14-8-6-12(7-9-14)10-19-11-15(17-18-19)13-4-2-1-3-5-13/h1-9,11H,10H2
InChIKeySHYXPBHFUGBWNL-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.13
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-4-phenyltriazole

1-[(4-fluorophenyl)methyl]-4-phenyltriazole (PubChem CID 71519757) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-phenyltriazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-phenyltriazole
PubChem CID71519757
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name1-[(4-fluorophenyl)methyl]-4-phenyltriazole
SMILESFc1ccc(Cn2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C15H12FN3/c16-14-8-6-12(7-9-14)10-19-11-15(17-18-19)13-4-2-1-3-5-13/h1-9,11H,10H2
InChIKeySHYXPBHFUGBWNL-UHFFFAOYSA-N
XLogP3.13
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-phenyltriazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-phenyltriazole (CID 71519757) is 1-[(4-fluorophenyl)methyl]-4-phenyltriazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-phenyltriazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-phenyltriazole is Fc1ccc(Cn2cc(-c3ccccc3)nn2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-phenyltriazole?
The InChIKey is SHYXPBHFUGBWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c16-14-8-6-12(7-9-14)10-19-11-15(17-18-19)13-4-2-1-3-5-13/h1-9,11H,10H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-phenyltriazole?
1-[(4-fluorophenyl)methyl]-4-phenyltriazole has a molecular weight of 253.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-phenyltriazole is sourced from PubChem (CID 71519757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).