2-bromo-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline

C11H13BrN4 — CID 82757287

IUPAC2-bromo-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline
SMILESCc1ccc(Br)c(NCc2nncn2C)c1
InChIInChI=1S/C11H13BrN4/c1-8-3-4-9(12)10(5-8)13-6-11-15-14-7-16(11)2/h3-5,7,13H,6H2,1-2H3
InChIKeyOMYHBCIGNFPFGT-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.50
Rot. Bonds3

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

2-bromo-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline (PubChem CID 82757287) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline
PubChem CID82757287
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name2-bromo-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline
SMILESCc1ccc(Br)c(NCc2nncn2C)c1
InChIInChI=1S/C11H13BrN4/c1-8-3-4-9(12)10(5-8)13-6-11-15-14-7-16(11)2/h3-5,7,13H,6H2,1-2H3
InChIKeyOMYHBCIGNFPFGT-UHFFFAOYSA-N
XLogP2.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-bromo-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 104937867
3-bromo-4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 115969661
1-(4-bromo-3-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 66472217
4-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)aniline
CID 65484192
5-bromo-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzenecarbothioamide
CID 114891679
5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 62117010
2-bromo-5-methyl-N-[(4-methylphenyl)methyl]aniline
CID 82760988
2-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzene-1,4-diamine
CID 62118995
2-bromo-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-methylaniline
CID 82757811
2-methyl-3-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzene-1,3-diamine
CID 63063434
2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline
CID 104797103
2-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
CID 82761087

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline?
The IUPAC name of 2-bromo-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline (CID 82757287) is 2-bromo-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline.
What is the SMILES notation for 2-bromo-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline?
The canonical SMILES for 2-bromo-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline is Cc1ccc(Br)c(NCc2nncn2C)c1.
What is the InChIKey of 2-bromo-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline?
The InChIKey is OMYHBCIGNFPFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-8-3-4-9(12)10(5-8)13-6-11-15-14-7-16(11)2/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 2-bromo-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline?
2-bromo-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline has a molecular weight of 281.16 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline is sourced from PubChem (CID 82757287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).