1-(4-methoxyphenyl)-4,5-dimethyltriazole

C11H13N3O — CID 121222849

IUPAC1-(4-methoxyphenyl)-4,5-dimethyltriazole
SMILESCOc1ccc(-n2nnc(C)c2C)cc1
InChIInChI=1S/C11H13N3O/c1-8-9(2)14(13-12-8)10-4-6-11(15-3)7-5-10/h4-7H,1-3H3
InChIKeyHAERHFMUFHJRBS-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.89
Rot. Bonds2

About 1-(4-methoxyphenyl)-4,5-dimethyltriazole

1-(4-methoxyphenyl)-4,5-dimethyltriazole (PubChem CID 121222849) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4,5-dimethyltriazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4,5-dimethyltriazole
PubChem CID121222849
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name1-(4-methoxyphenyl)-4,5-dimethyltriazole
SMILESCOc1ccc(-n2nnc(C)c2C)cc1
InChIInChI=1S/C11H13N3O/c1-8-9(2)14(13-12-8)10-4-6-11(15-3)7-5-10/h4-7H,1-3H3
InChIKeyHAERHFMUFHJRBS-UHFFFAOYSA-N
XLogP1.89
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4,5-dimethyltriazole?
The IUPAC name of 1-(4-methoxyphenyl)-4,5-dimethyltriazole (CID 121222849) is 1-(4-methoxyphenyl)-4,5-dimethyltriazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-4,5-dimethyltriazole?
The canonical SMILES for 1-(4-methoxyphenyl)-4,5-dimethyltriazole is COc1ccc(-n2nnc(C)c2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4,5-dimethyltriazole?
The InChIKey is HAERHFMUFHJRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-9(2)14(13-12-8)10-4-6-11(15-3)7-5-10/h4-7H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-4,5-dimethyltriazole?
1-(4-methoxyphenyl)-4,5-dimethyltriazole has a molecular weight of 203.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4,5-dimethyltriazole is sourced from PubChem (CID 121222849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).