4-[(4-methylphenoxy)methyl]-2H-triazole

C10H11N3O — CID 134854950

IUPAC4-[(4-methylphenoxy)methyl]-2H-triazole
SMILESCc1ccc(OCc2cn[nH]n2)cc1
InChIInChI=1S/C10H11N3O/c1-8-2-4-10(5-3-8)14-7-9-6-11-13-12-9/h2-6H,7H2,1H3,(H,11,12,13)
InChIKeyFFPYEPBEATWDAA-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.69
Rot. Bonds3

About 4-[(4-methylphenoxy)methyl]-2H-triazole

4-[(4-methylphenoxy)methyl]-2H-triazole (PubChem CID 134854950) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-[(4-methylphenoxy)methyl]-2H-triazole.

Molecular Properties

Compound Name4-[(4-methylphenoxy)methyl]-2H-triazole
PubChem CID134854950
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-[(4-methylphenoxy)methyl]-2H-triazole
SMILESCc1ccc(OCc2cn[nH]n2)cc1
InChIInChI=1S/C10H11N3O/c1-8-2-4-10(5-3-8)14-7-9-6-11-13-12-9/h2-6H,7H2,1H3,(H,11,12,13)
InChIKeyFFPYEPBEATWDAA-UHFFFAOYSA-N
XLogP1.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenoxy)methyl]-2H-triazole?
The IUPAC name of 4-[(4-methylphenoxy)methyl]-2H-triazole (CID 134854950) is 4-[(4-methylphenoxy)methyl]-2H-triazole.
What is the SMILES notation for 4-[(4-methylphenoxy)methyl]-2H-triazole?
The canonical SMILES for 4-[(4-methylphenoxy)methyl]-2H-triazole is Cc1ccc(OCc2cn[nH]n2)cc1.
What is the InChIKey of 4-[(4-methylphenoxy)methyl]-2H-triazole?
The InChIKey is FFPYEPBEATWDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-8-2-4-10(5-3-8)14-7-9-6-11-13-12-9/h2-6H,7H2,1H3,(H,11,12,13).
What are the key properties of 4-[(4-methylphenoxy)methyl]-2H-triazole?
4-[(4-methylphenoxy)methyl]-2H-triazole has a molecular weight of 189.22 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenoxy)methyl]-2H-triazole is sourced from PubChem (CID 134854950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).