2-(3,4-dimethoxyphenyl)triazole

C10H11N3O2 — CID 123229175

IUPAC2-(3,4-dimethoxyphenyl)triazole
SMILESCOc1ccc(-n2nccn2)cc1OC
InChIInChI=1S/C10H11N3O2/c1-14-9-4-3-8(7-10(9)15-2)13-11-5-6-12-13/h3-7H,1-2H3
InChIKeyDMTZWSZUGUECJO-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.28
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)triazole

2-(3,4-dimethoxyphenyl)triazole (PubChem CID 123229175) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)triazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)triazole
PubChem CID123229175
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-(3,4-dimethoxyphenyl)triazole
SMILESCOc1ccc(-n2nccn2)cc1OC
InChIInChI=1S/C10H11N3O2/c1-14-9-4-3-8(7-10(9)15-2)13-11-5-6-12-13/h3-7H,1-2H3
InChIKeyDMTZWSZUGUECJO-UHFFFAOYSA-N
XLogP1.28
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)triazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)triazole (CID 123229175) is 2-(3,4-dimethoxyphenyl)triazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)triazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)triazole is COc1ccc(-n2nccn2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)triazole?
The InChIKey is DMTZWSZUGUECJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-14-9-4-3-8(7-10(9)15-2)13-11-5-6-12-13/h3-7H,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)triazole?
2-(3,4-dimethoxyphenyl)triazole has a molecular weight of 205.22 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)triazole is sourced from PubChem (CID 123229175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).