3-[(3-bromophenyl)methyl]-4-phenyl-1,2,4-triazole

C15H12BrN3 — CID 115393272

IUPAC3-[(3-bromophenyl)methyl]-4-phenyl-1,2,4-triazole
SMILESBrc1cccc(Cc2nncn2-c2ccccc2)c1
InChIInChI=1S/C15H12BrN3/c16-13-6-4-5-12(9-13)10-15-18-17-11-19(15)14-7-2-1-3-8-14/h1-9,11H,10H2
InChIKeyJKWCRLSLRNZYTN-UHFFFAOYSA-N
MW314.19 g/mol
LogP3.62
Rot. Bonds3

About 3-[(3-bromophenyl)methyl]-4-phenyl-1,2,4-triazole

3-[(3-bromophenyl)methyl]-4-phenyl-1,2,4-triazole (PubChem CID 115393272) has the molecular formula C15H12BrN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methyl]-4-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[(3-bromophenyl)methyl]-4-phenyl-1,2,4-triazole
PubChem CID115393272
Molecular FormulaC15H12BrN3
Molecular Weight314.19 g/mol
Exact Mass313.02
IUPAC Name3-[(3-bromophenyl)methyl]-4-phenyl-1,2,4-triazole
SMILESBrc1cccc(Cc2nncn2-c2ccccc2)c1
InChIInChI=1S/C15H12BrN3/c16-13-6-4-5-12(9-13)10-15-18-17-11-19(15)14-7-2-1-3-8-14/h1-9,11H,10H2
InChIKeyJKWCRLSLRNZYTN-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(bromomethyl)-5-[(3-bromophenyl)methyl]-4-methyl-1,2,4-triazole
CID 115399838
3-[(4-methoxyphenyl)methyl]-4-phenyl-1,2,4-triazole
CID 115393487
3-[(3-bromophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 113300974
(4-phenyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
CID 71779094
5-bromo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-3-amine
CID 84595860
2-[[5-[(3-bromophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 113300836
6-[(3-bromophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 82489989
3-(5-bromo-2-fluorophenyl)-4-phenyl-1,2,4-triazole
CID 115393323
3-[(3-bromophenyl)methyl]pyridazine
CID 117106529
3-(2-methylbutyl)-4-phenyl-1,2,4-triazole
CID 114877681
4-phenyl-3-(propoxymethyl)-1,2,4-triazole
CID 107944041
[2-[(3-bromophenyl)methyl]phenyl]-diphenylphosphane;hydrobromide
CID 172741829

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methyl]-4-phenyl-1,2,4-triazole?
The IUPAC name of 3-[(3-bromophenyl)methyl]-4-phenyl-1,2,4-triazole (CID 115393272) is 3-[(3-bromophenyl)methyl]-4-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-[(3-bromophenyl)methyl]-4-phenyl-1,2,4-triazole?
The canonical SMILES for 3-[(3-bromophenyl)methyl]-4-phenyl-1,2,4-triazole is Brc1cccc(Cc2nncn2-c2ccccc2)c1.
What is the InChIKey of 3-[(3-bromophenyl)methyl]-4-phenyl-1,2,4-triazole?
The InChIKey is JKWCRLSLRNZYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3/c16-13-6-4-5-12(9-13)10-15-18-17-11-19(15)14-7-2-1-3-8-14/h1-9,11H,10H2.
What are the key properties of 3-[(3-bromophenyl)methyl]-4-phenyl-1,2,4-triazole?
3-[(3-bromophenyl)methyl]-4-phenyl-1,2,4-triazole has a molecular weight of 314.19 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methyl]-4-phenyl-1,2,4-triazole is sourced from PubChem (CID 115393272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).