1-(2,4-dibromophenyl)-2-(1,2,4-triazol-1-yl)ethanone

C10H7Br2N3O — CID 739373

IUPAC1-(2,4-dibromophenyl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)c1ccc(Br)cc1Br
InChIInChI=1S/C10H7Br2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2
InChIKeyLGPGJLWPLPLZAZ-UHFFFAOYSA-N
MW344.99 g/mol
LogP2.69
Rot. Bonds3

About 1-(2,4-dibromophenyl)-2-(1,2,4-triazol-1-yl)ethanone

1-(2,4-dibromophenyl)-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 739373) has the molecular formula C10H7Br2N3O and a molecular weight of 344.99 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID739373
Molecular FormulaC10H7Br2N3O
Molecular Weight344.99 g/mol
Exact Mass342.90
IUPAC Name1-(2,4-dibromophenyl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)c1ccc(Br)cc1Br
InChIInChI=1S/C10H7Br2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2
InChIKeyLGPGJLWPLPLZAZ-UHFFFAOYSA-N
XLogP2.69
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.99
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone
CID 588080
1-(2-Bromophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
CID 914824
1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone
CID 2764809
4-(4-Bromophenyl)-1-(1,2,4-triazol-1-yl)butan-2-one;hydrochloride
CID 25132857
2-(3,5-dibromo-1H-1,2,4-triazol-1-yl)-1-phenyl-1-ethanone
CID 1490482
1-(4-Fluorophenyl)-2-(1H-1,2,4-triazole-1-yl)ethanone
CID 10420476
(2E)-1-(2,4-dibromophenyl)-2-hydroxyimino-2-(1,2,4-triazol-1-yl)ethanone
CID 6403905
1-(3,4-Difluoro-phenyl)-2-[1,2,4]triazol-1-yl-ethanone
CID 723809
1-(4-Bromophenyl)-2-[4-[2-(4-bromophenyl)-2-oxoethyl]-1,2,4-triazol-4-ium-1-yl]ethanone bromide
CID 49863844
1-Phenyl-2-(1,2,4-triazol-1-yl)ethanone;hydrochloride
CID 49863845
1-(3-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
CID 10798266
1-(4-Bromophenyl)-2-(3-methylsulfinyl-1,2,4-triazol-4-yl)ethanone
CID 71864714

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-(2,4-dibromophenyl)-2-(1,2,4-triazol-1-yl)ethanone (CID 739373) is 1-(2,4-dibromophenyl)-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-(2,4-dibromophenyl)-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-(2,4-dibromophenyl)-2-(1,2,4-triazol-1-yl)ethanone is O=C(Cn1cncn1)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is LGPGJLWPLPLZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2.
What are the key properties of 1-(2,4-dibromophenyl)-2-(1,2,4-triazol-1-yl)ethanone?
1-(2,4-dibromophenyl)-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 344.99 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 739373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).