1-benzyl-4-(2,4-difluorophenyl)triazole

C15H11F2N3 — CID 86272010

IUPAC1-benzyl-4-(2,4-difluorophenyl)triazole
SMILESFc1ccc(-c2cn(Cc3ccccc3)nn2)c(F)c1
InChIInChI=1S/C15H11F2N3/c16-12-6-7-13(14(17)8-12)15-10-20(19-18-15)9-11-4-2-1-3-5-11/h1-8,10H,9H2
InChIKeyPFXCEZBOINSKMU-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.27
Rot. Bonds3

About 1-benzyl-4-(2,4-difluorophenyl)triazole

1-benzyl-4-(2,4-difluorophenyl)triazole (PubChem CID 86272010) has the molecular formula C15H11F2N3 and a molecular weight of 271.27 g/mol. Its IUPAC name is 1-benzyl-4-(2,4-difluorophenyl)triazole.

Molecular Properties

Compound Name1-benzyl-4-(2,4-difluorophenyl)triazole
PubChem CID86272010
Molecular FormulaC15H11F2N3
Molecular Weight271.27 g/mol
Exact Mass271.09
IUPAC Name1-benzyl-4-(2,4-difluorophenyl)triazole
SMILESFc1ccc(-c2cn(Cc3ccccc3)nn2)c(F)c1
InChIInChI=1S/C15H11F2N3/c16-12-6-7-13(14(17)8-12)15-10-20(19-18-15)9-11-4-2-1-3-5-11/h1-8,10H,9H2
InChIKeyPFXCEZBOINSKMU-UHFFFAOYSA-N
XLogP3.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2,4-difluorophenyl)triazole?
The IUPAC name of 1-benzyl-4-(2,4-difluorophenyl)triazole (CID 86272010) is 1-benzyl-4-(2,4-difluorophenyl)triazole.
What is the SMILES notation for 1-benzyl-4-(2,4-difluorophenyl)triazole?
The canonical SMILES for 1-benzyl-4-(2,4-difluorophenyl)triazole is Fc1ccc(-c2cn(Cc3ccccc3)nn2)c(F)c1.
What is the InChIKey of 1-benzyl-4-(2,4-difluorophenyl)triazole?
The InChIKey is PFXCEZBOINSKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3/c16-12-6-7-13(14(17)8-12)15-10-20(19-18-15)9-11-4-2-1-3-5-11/h1-8,10H,9H2.
What are the key properties of 1-benzyl-4-(2,4-difluorophenyl)triazole?
1-benzyl-4-(2,4-difluorophenyl)triazole has a molecular weight of 271.27 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2,4-difluorophenyl)triazole is sourced from PubChem (CID 86272010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).