4-(3,4-dimethylphenoxy)-2H-triazole

C10H11N3O — CID 155653439

IUPAC4-(3,4-dimethylphenoxy)-2H-triazole
SMILESCc1ccc(Oc2cn[nH]n2)cc1C
InChIInChI=1S/C10H11N3O/c1-7-3-4-9(5-8(7)2)14-10-6-11-13-12-10/h3-6H,1-2H3,(H,11,12,13)
InChIKeySOQQCVXAKFWWAA-UHFFFAOYSA-N
MW189.22 g/mol
LogP2.21
Rot. Bonds2

About 4-(3,4-dimethylphenoxy)-2H-triazole

4-(3,4-dimethylphenoxy)-2H-triazole (PubChem CID 155653439) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-(3,4-dimethylphenoxy)-2H-triazole.

Molecular Properties

Compound Name4-(3,4-dimethylphenoxy)-2H-triazole
PubChem CID155653439
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-(3,4-dimethylphenoxy)-2H-triazole
SMILESCc1ccc(Oc2cn[nH]n2)cc1C
InChIInChI=1S/C10H11N3O/c1-7-3-4-9(5-8(7)2)14-10-6-11-13-12-10/h3-6H,1-2H3,(H,11,12,13)
InChIKeySOQQCVXAKFWWAA-UHFFFAOYSA-N
XLogP2.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenoxy)-2H-triazole?
The IUPAC name of 4-(3,4-dimethylphenoxy)-2H-triazole (CID 155653439) is 4-(3,4-dimethylphenoxy)-2H-triazole.
What is the SMILES notation for 4-(3,4-dimethylphenoxy)-2H-triazole?
The canonical SMILES for 4-(3,4-dimethylphenoxy)-2H-triazole is Cc1ccc(Oc2cn[nH]n2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenoxy)-2H-triazole?
The InChIKey is SOQQCVXAKFWWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-3-4-9(5-8(7)2)14-10-6-11-13-12-10/h3-6H,1-2H3,(H,11,12,13).
What are the key properties of 4-(3,4-dimethylphenoxy)-2H-triazole?
4-(3,4-dimethylphenoxy)-2H-triazole has a molecular weight of 189.22 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenoxy)-2H-triazole is sourced from PubChem (CID 155653439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).