2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole

C12H15N3O2 — CID 118149760

IUPAC2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole
SMILESCOc1cc(-n2nccn2)c(C)c(C)c1OC
InChIInChI=1S/C12H15N3O2/c1-8-9(2)12(17-4)11(16-3)7-10(8)15-13-5-6-14-15/h5-7H,1-4H3
InChIKeyVVMIOMYCGGHJPG-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.90
Rot. Bonds3

About 2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole

2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole (PubChem CID 118149760) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole.

Molecular Properties

Compound Name2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole
PubChem CID118149760
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole
SMILESCOc1cc(-n2nccn2)c(C)c(C)c1OC
InChIInChI=1S/C12H15N3O2/c1-8-9(2)12(17-4)11(16-3)7-10(8)15-13-5-6-14-15/h5-7H,1-4H3
InChIKeyVVMIOMYCGGHJPG-UHFFFAOYSA-N
XLogP1.90
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole?
The IUPAC name of 2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole (CID 118149760) is 2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole.
What is the SMILES notation for 2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole?
The canonical SMILES for 2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole is COc1cc(-n2nccn2)c(C)c(C)c1OC.
What is the InChIKey of 2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole?
The InChIKey is VVMIOMYCGGHJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-9(2)12(17-4)11(16-3)7-10(8)15-13-5-6-14-15/h5-7H,1-4H3.
What are the key properties of 2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole?
2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole has a molecular weight of 233.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole is sourced from PubChem (CID 118149760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).