2-[1-(4-bromo-3-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine

C12H15BrN4 — CID 82490017

IUPAC2-[1-(4-bromo-3-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
SMILESCc1cc(-n2nc(CCN)nc2C)ccc1Br
InChIInChI=1S/C12H15BrN4/c1-8-7-10(3-4-11(8)13)17-9(2)15-12(16-17)5-6-14/h3-4,7H,5-6,14H2,1-2H3
InChIKeyGGFWVUPDNONSDG-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.15
Rot. Bonds3

About 2-[1-(4-bromo-3-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine

2-[1-(4-bromo-3-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine (PubChem CID 82490017) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 2-[1-(4-bromo-3-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-bromo-3-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
PubChem CID82490017
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name2-[1-(4-bromo-3-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
SMILESCc1cc(-n2nc(CCN)nc2C)ccc1Br
InChIInChI=1S/C12H15BrN4/c1-8-7-10(3-4-11(8)13)17-9(2)15-12(16-17)5-6-14/h3-4,7H,5-6,14H2,1-2H3
InChIKeyGGFWVUPDNONSDG-UHFFFAOYSA-N
XLogP2.15
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(4-bromo-3-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine 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

2-[1-(2-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82489373
[1-(4-bromo-3-methylphenyl)-5-methylpyrazol-3-yl]methanamine
CID 82093871
3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 82471672
2-[1-(2,3-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96667867
2-[1-(4-bromo-3-methylphenyl)pyrazol-4-yl]ethanamine
CID 82307239
[1-(3,4-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 82478670
2-[2-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]ethanamine
CID 114064904
5-(aminomethyl)-2-(4-bromo-3-methylphenyl)-6-propan-2-ylpyridazin-3-one
CID 84610573
4-[1-(4-bromo-3-methylphenyl)triazol-4-yl]butan-1-amine
CID 113424666
5-amino-1-(4-bromo-3-methylphenyl)pyrazole-3-carboxylic acid
CID 82124593
2-[1-(4-bromo-3-methylphenyl)pyrazol-3-yl]-2-methylpropan-1-amine
CID 116818434
2-[2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine
CID 63815380

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-3-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[1-(4-bromo-3-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine (CID 82490017) is 2-[1-(4-bromo-3-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-bromo-3-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(4-bromo-3-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine is Cc1cc(-n2nc(CCN)nc2C)ccc1Br.
What is the InChIKey of 2-[1-(4-bromo-3-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is GGFWVUPDNONSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-8-7-10(3-4-11(8)13)17-9(2)15-12(16-17)5-6-14/h3-4,7H,5-6,14H2,1-2H3.
What are the key properties of 2-[1-(4-bromo-3-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine?
2-[1-(4-bromo-3-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 295.18 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromo-3-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 82490017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).