3-bromo-1-methyl-5-(3-methylphenyl)-1,2,4-triazole

C10H10BrN3 — CID 84707601

IUPAC3-bromo-1-methyl-5-(3-methylphenyl)-1,2,4-triazole
SMILESCc1cccc(-c2nc(Br)nn2C)c1
InChIInChI=1S/C10H10BrN3/c1-7-4-3-5-8(6-7)9-12-10(11)13-14(9)2/h3-6H,1-2H3
InChIKeyHEMZXYSYTMXWOS-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.55
Rot. Bonds1

About 3-bromo-1-methyl-5-(3-methylphenyl)-1,2,4-triazole

3-bromo-1-methyl-5-(3-methylphenyl)-1,2,4-triazole (PubChem CID 84707601) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 3-bromo-1-methyl-5-(3-methylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-bromo-1-methyl-5-(3-methylphenyl)-1,2,4-triazole
PubChem CID84707601
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name3-bromo-1-methyl-5-(3-methylphenyl)-1,2,4-triazole
SMILESCc1cccc(-c2nc(Br)nn2C)c1
InChIInChI=1S/C10H10BrN3/c1-7-4-3-5-8(6-7)9-12-10(11)13-14(9)2/h3-6H,1-2H3
InChIKeyHEMZXYSYTMXWOS-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-bromo-5-(3-methoxyphenyl)-1-methyl-1,2,4-triazole
CID 84712036
4-bromo-1,5-dimethyl-3-(3-methylphenyl)pyrazole
CID 83739505
4-bromo-1-methyl-2-(3-methylphenyl)imidazole
CID 30032990
5-(3-bromophenyl)-1-methyl-3-propyl-1,2,4-triazole
CID 102042995
1-methyl-5-(3-methylphenyl)tetrazole
CID 23384026
1-methyl-3-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 13370519
2-(3,5-dibromophenyl)-4,6-bis(3-methylphenyl)-1,3,5-triazine
CID 59510678
3-methyl-5-(3-methylphenyl)-1,3,4-oxadiazole-2-thione
CID 88910937
2-bromo-1,3-bis(3-methylphenyl)benzene
CID 3691341
5-bromo-3-(3-methylphenyl)-1,2,4-thiadiazole
CID 83901137
1-methyl-3-[3-(3-methylphenyl)phenyl]pyrazole
CID 137458249
1-methyl-2-(3-methylphenyl)imidazole-4,5-diol
CID 70622359

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-5-(3-methylphenyl)-1,2,4-triazole?
The IUPAC name of 3-bromo-1-methyl-5-(3-methylphenyl)-1,2,4-triazole (CID 84707601) is 3-bromo-1-methyl-5-(3-methylphenyl)-1,2,4-triazole.
What is the SMILES notation for 3-bromo-1-methyl-5-(3-methylphenyl)-1,2,4-triazole?
The canonical SMILES for 3-bromo-1-methyl-5-(3-methylphenyl)-1,2,4-triazole is Cc1cccc(-c2nc(Br)nn2C)c1.
What is the InChIKey of 3-bromo-1-methyl-5-(3-methylphenyl)-1,2,4-triazole?
The InChIKey is HEMZXYSYTMXWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-7-4-3-5-8(6-7)9-12-10(11)13-14(9)2/h3-6H,1-2H3.
What are the key properties of 3-bromo-1-methyl-5-(3-methylphenyl)-1,2,4-triazole?
3-bromo-1-methyl-5-(3-methylphenyl)-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-bromo-1-methyl-5-(3-methylphenyl)-1,2,4-triazole is sourced from PubChem (CID 84707601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).