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

C11H13N3O — CID 50962372

IUPAC3-(4-methoxy-3-methylphenyl)-5-methyl-1H-1,2,4-triazole
SMILESCOc1ccc(-c2n[nH]c(C)n2)cc1C
InChIInChI=1S/C11H13N3O/c1-7-6-9(4-5-10(7)15-3)11-12-8(2)13-14-11/h4-6H,1-3H3,(H,12,13,14)
InChIKeyBVIVOKXMOZHZLA-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.10
Rot. Bonds2

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

3-(4-methoxy-3-methylphenyl)-5-methyl-1H-1,2,4-triazole (PubChem CID 50962372) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)-5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)-5-methyl-1H-1,2,4-triazole
PubChem CID50962372
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name3-(4-methoxy-3-methylphenyl)-5-methyl-1H-1,2,4-triazole
SMILESCOc1ccc(-c2n[nH]c(C)n2)cc1C
InChIInChI=1S/C11H13N3O/c1-7-6-9(4-5-10(7)15-3)11-12-8(2)13-14-11/h4-6H,1-3H3,(H,12,13,14)
InChIKeyBVIVOKXMOZHZLA-UHFFFAOYSA-N
XLogP2.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-methoxy-3-methylphenyl)-5-methyl-1H-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

3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-1H-1,2,4-triazole
CID 67797926
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
ethane;5-methyl-3-(4-methylphenyl)-1H-1,2,4-triazole
CID 143974565
1-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 62951873
2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole
CID 82094050
2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine
CID 62133352
2-(4-methoxy-3-methylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 62190799
5-(4-methoxy-3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 59301205
4-(4-methoxy-3-methylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 116894741
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 78893817
5-bromo-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine
CID 66296448
3-amino-4-(4-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 82086444

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)-5-methyl-1H-1,2,4-triazole?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)-5-methyl-1H-1,2,4-triazole (CID 50962372) is 3-(4-methoxy-3-methylphenyl)-5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)-5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)-5-methyl-1H-1,2,4-triazole is COc1ccc(-c2n[nH]c(C)n2)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)-5-methyl-1H-1,2,4-triazole?
The InChIKey is BVIVOKXMOZHZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-6-9(4-5-10(7)15-3)11-12-8(2)13-14-11/h4-6H,1-3H3,(H,12,13,14).
What are the key properties of 3-(4-methoxy-3-methylphenyl)-5-methyl-1H-1,2,4-triazole?
3-(4-methoxy-3-methylphenyl)-5-methyl-1H-1,2,4-triazole has a molecular weight of 203.24 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)-5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 50962372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).