1-[(2-bromophenyl)methyl]-5-phenyltriazole

C15H12BrN3 — CID 14612090

IUPAC1-[(2-bromophenyl)methyl]-5-phenyltriazole
SMILESBrc1ccccc1Cn1nncc1-c1ccccc1
InChIInChI=1S/C15H12BrN3/c16-14-9-5-4-8-13(14)11-19-15(10-17-18-19)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyTVNIDIVJYMDRKA-UHFFFAOYSA-N
MW314.19 g/mol
LogP3.76
Rot. Bonds3

About 1-[(2-bromophenyl)methyl]-5-phenyltriazole

1-[(2-bromophenyl)methyl]-5-phenyltriazole (PubChem CID 14612090) has the molecular formula C15H12BrN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-5-phenyltriazole.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-5-phenyltriazole
PubChem CID14612090
Molecular FormulaC15H12BrN3
Molecular Weight314.19 g/mol
Exact Mass313.02
IUPAC Name1-[(2-bromophenyl)methyl]-5-phenyltriazole
SMILESBrc1ccccc1Cn1nncc1-c1ccccc1
InChIInChI=1S/C15H12BrN3/c16-14-9-5-4-8-13(14)11-19-15(10-17-18-19)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyTVNIDIVJYMDRKA-UHFFFAOYSA-N
XLogP3.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-5-phenyltriazole?
The IUPAC name of 1-[(2-bromophenyl)methyl]-5-phenyltriazole (CID 14612090) is 1-[(2-bromophenyl)methyl]-5-phenyltriazole.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-5-phenyltriazole?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-5-phenyltriazole is Brc1ccccc1Cn1nncc1-c1ccccc1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-5-phenyltriazole?
The InChIKey is TVNIDIVJYMDRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3/c16-14-9-5-4-8-13(14)11-19-15(10-17-18-19)12-6-2-1-3-7-12/h1-10H,11H2.
What are the key properties of 1-[(2-bromophenyl)methyl]-5-phenyltriazole?
1-[(2-bromophenyl)methyl]-5-phenyltriazole has a molecular weight of 314.19 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-5-phenyltriazole is sourced from PubChem (CID 14612090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).