3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole

C10H9Br2N3O — CID 50999870

IUPAC3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole
SMILESCOc1cccc(Cn2nc(Br)nc2Br)c1
InChIInChI=1S/C10H9Br2N3O/c1-16-8-4-2-3-7(5-8)6-15-10(12)13-9(11)14-15/h2-5H,6H2,1H3
InChIKeyXNAASPOSEPIBCO-UHFFFAOYSA-N
MW347.01 g/mol
LogP2.86
Rot. Bonds3

About 3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole

3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole (PubChem CID 50999870) has the molecular formula C10H9Br2N3O and a molecular weight of 347.01 g/mol. Its IUPAC name is 3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole
PubChem CID50999870
Molecular FormulaC10H9Br2N3O
Molecular Weight347.01 g/mol
Exact Mass344.91
IUPAC Name3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole
SMILESCOc1cccc(Cn2nc(Br)nc2Br)c1
InChIInChI=1S/C10H9Br2N3O/c1-16-8-4-2-3-7(5-8)6-15-10(12)13-9(11)14-15/h2-5H,6H2,1H3
InChIKeyXNAASPOSEPIBCO-UHFFFAOYSA-N
XLogP2.86
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.01
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine
CID 121320242
4,5-dibromo-2-[(3-methoxyphenyl)methyl]pyridazin-3-one
CID 115576901
3,5-bis(3-bromophenyl)-4-chloro-1-[(3-methoxyphenyl)methyl]pyrazole
CID 17025240
4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole
CID 19586315
3-methoxy-1-[(3-methoxyphenyl)methyl]pyrazole
CID 174759475
1-[(3-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82295044
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
5-bromo-1-[(3-methoxyphenyl)methyl]indole
CID 116619594
4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19586223
2-bromo-6-[(3-methoxyphenyl)methyl]pyridine
CID 54045863
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19525552
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole?
The IUPAC name of 3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole (CID 50999870) is 3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole.
What is the SMILES notation for 3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole?
The canonical SMILES for 3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole is COc1cccc(Cn2nc(Br)nc2Br)c1.
What is the InChIKey of 3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole?
The InChIKey is XNAASPOSEPIBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2N3O/c1-16-8-4-2-3-7(5-8)6-15-10(12)13-9(11)14-15/h2-5H,6H2,1H3.
What are the key properties of 3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole?
3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole has a molecular weight of 347.01 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole is sourced from PubChem (CID 50999870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).