3-(3-bromo-4-methylphenyl)-4-methyl-1,2,4-triazole

C10H10BrN3 — CID 115395408

IUPAC3-(3-bromo-4-methylphenyl)-4-methyl-1,2,4-triazole
SMILESCc1ccc(-c2nncn2C)cc1Br
InChIInChI=1S/C10H10BrN3/c1-7-3-4-8(5-9(7)11)10-13-12-6-14(10)2/h3-6H,1-2H3
InChIKeyZOQGZEDTPZLINR-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.55
Rot. Bonds1

About 3-(3-bromo-4-methylphenyl)-4-methyl-1,2,4-triazole

3-(3-bromo-4-methylphenyl)-4-methyl-1,2,4-triazole (PubChem CID 115395408) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 3-(3-bromo-4-methylphenyl)-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-bromo-4-methylphenyl)-4-methyl-1,2,4-triazole
PubChem CID115395408
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name3-(3-bromo-4-methylphenyl)-4-methyl-1,2,4-triazole
SMILESCc1ccc(-c2nncn2C)cc1Br
InChIInChI=1S/C10H10BrN3/c1-7-3-4-8(5-9(7)11)10-13-12-6-14(10)2/h3-6H,1-2H3
InChIKeyZOQGZEDTPZLINR-UHFFFAOYSA-N
XLogP2.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-4-methyl-1,2,4-triazole
CID 79014882
3-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 115395215
2-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 63188193
3-(3-chlorophenyl)-4-methyl-1,2,4-triazole
CID 79002375
3-(bromomethyl)-5-(3-bromo-4-methylphenyl)-4-propyl-1,2,4-triazole
CID 113302555
5-(3-bromo-4-methylphenyl)-1,2,4-triazole-3,4-diamine
CID 81472362
3-(2-bromo-5-fluorophenyl)-4-methyl-1,2,4-triazole
CID 115395337
3-bromo-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 79466645
N-[(3-bromo-4-methylphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 113365432
2-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine
CID 63794610
N-[(3-bromofuran-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 103818687
5-(4-methyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one
CID 136742882

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methylphenyl)-4-methyl-1,2,4-triazole?
The IUPAC name of 3-(3-bromo-4-methylphenyl)-4-methyl-1,2,4-triazole (CID 115395408) is 3-(3-bromo-4-methylphenyl)-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(3-bromo-4-methylphenyl)-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-(3-bromo-4-methylphenyl)-4-methyl-1,2,4-triazole is Cc1ccc(-c2nncn2C)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methylphenyl)-4-methyl-1,2,4-triazole?
The InChIKey is ZOQGZEDTPZLINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-7-3-4-8(5-9(7)11)10-13-12-6-14(10)2/h3-6H,1-2H3.
What are the key properties of 3-(3-bromo-4-methylphenyl)-4-methyl-1,2,4-triazole?
3-(3-bromo-4-methylphenyl)-4-methyl-1,2,4-triazole has a molecular weight of 252.12 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methylphenyl)-4-methyl-1,2,4-triazole is sourced from PubChem (CID 115395408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).