5-(bromomethyl)-1-(2,4-dichlorophenyl)triazole

C9H6BrCl2N3 — CID 130171318

IUPAC5-(bromomethyl)-1-(2,4-dichlorophenyl)triazole
SMILESClc1ccc(-n2nncc2CBr)c(Cl)c1
InChIInChI=1S/C9H6BrCl2N3/c10-4-7-5-13-14-15(7)9-2-1-6(11)3-8(9)12/h1-3,5H,4H2
InChIKeyAHXCLVXEFGZFQL-UHFFFAOYSA-N
MW306.98 g/mol
LogP3.47
Rot. Bonds2

About 5-(bromomethyl)-1-(2,4-dichlorophenyl)triazole

5-(bromomethyl)-1-(2,4-dichlorophenyl)triazole (PubChem CID 130171318) has the molecular formula C9H6BrCl2N3 and a molecular weight of 306.98 g/mol. Its IUPAC name is 5-(bromomethyl)-1-(2,4-dichlorophenyl)triazole.

Molecular Properties

Compound Name5-(bromomethyl)-1-(2,4-dichlorophenyl)triazole
PubChem CID130171318
Molecular FormulaC9H6BrCl2N3
Molecular Weight306.98 g/mol
Exact Mass304.91
IUPAC Name5-(bromomethyl)-1-(2,4-dichlorophenyl)triazole
SMILESClc1ccc(-n2nncc2CBr)c(Cl)c1
InChIInChI=1S/C9H6BrCl2N3/c10-4-7-5-13-14-15(7)9-2-1-6(11)3-8(9)12/h1-3,5H,4H2
InChIKeyAHXCLVXEFGZFQL-UHFFFAOYSA-N
XLogP3.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.98
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2-chlorophenyl)-5-(bromomethyl)triazole
CID 130566437
N-[[3-(2,4-dichlorophenyl)triazol-4-yl]methyl]propan-2-amine
CID 107451370
1-(3-bromo-4-chlorophenyl)-5-(bromomethyl)triazole
CID 130566447
1-(3-bromo-5-chlorophenyl)-5-(bromomethyl)triazole
CID 130747310
4-(bromomethyl)-1-(2,4-dichlorophenyl)-5-(difluoromethyl)pyrazole
CID 66437705
N-[[3-(2-bromo-5-chlorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107451783
5-bromo-1-(2,4-dichlorophenyl)pyrazole
CID 79020409
4-(bromomethyl)-1-(2,4-dichlorophenyl)imidazole
CID 130482663
N-[[3-(5-chloro-2-fluorophenyl)triazol-4-yl]methyl]propan-1-amine
CID 107451377
N-[[3-[2-chloro-4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]cyclopropanamine
CID 107451623
2-[3-[2-chloro-5-(trifluoromethyl)phenyl]triazol-4-yl]acetic acid
CID 43671539
5-chloro-1-(2,4-dichlorophenyl)-3-ethylpyrazole
CID 66021764

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-1-(2,4-dichlorophenyl)triazole?
The IUPAC name of 5-(bromomethyl)-1-(2,4-dichlorophenyl)triazole (CID 130171318) is 5-(bromomethyl)-1-(2,4-dichlorophenyl)triazole.
What is the SMILES notation for 5-(bromomethyl)-1-(2,4-dichlorophenyl)triazole?
The canonical SMILES for 5-(bromomethyl)-1-(2,4-dichlorophenyl)triazole is Clc1ccc(-n2nncc2CBr)c(Cl)c1.
What is the InChIKey of 5-(bromomethyl)-1-(2,4-dichlorophenyl)triazole?
The InChIKey is AHXCLVXEFGZFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrCl2N3/c10-4-7-5-13-14-15(7)9-2-1-6(11)3-8(9)12/h1-3,5H,4H2.
What are the key properties of 5-(bromomethyl)-1-(2,4-dichlorophenyl)triazole?
5-(bromomethyl)-1-(2,4-dichlorophenyl)triazole has a molecular weight of 306.98 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-1-(2,4-dichlorophenyl)triazole is sourced from PubChem (CID 130171318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).