1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,2,4-triazole

C14H19N3O — CID 976107

IUPAC1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,2,4-triazole
SMILESCc1ccc(C(C)C)cc1OCCn1cncn1
InChIInChI=1S/C14H19N3O/c1-11(2)13-5-4-12(3)14(8-13)18-7-6-17-10-15-9-16-17/h4-5,8-11H,6-7H2,1-3H3
InChIKeyFJJUVHWZGFWIRJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.79
Rot. Bonds5

About 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,2,4-triazole

1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,2,4-triazole (PubChem CID 976107) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,2,4-triazole
PubChem CID976107
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,2,4-triazole
SMILESCc1ccc(C(C)C)cc1OCCn1cncn1
InChIInChI=1S/C14H19N3O/c1-11(2)13-5-4-12(3)14(8-13)18-7-6-17-10-15-9-16-17/h4-5,8-11H,6-7H2,1-3H3
InChIKeyFJJUVHWZGFWIRJ-UHFFFAOYSA-N
XLogP2.79
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,2,4-triazole?
The IUPAC name of 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,2,4-triazole (CID 976107) is 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,2,4-triazole.
What is the SMILES notation for 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,2,4-triazole?
The canonical SMILES for 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,2,4-triazole is Cc1ccc(C(C)C)cc1OCCn1cncn1.
What is the InChIKey of 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,2,4-triazole?
The InChIKey is FJJUVHWZGFWIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)13-5-4-12(3)14(8-13)18-7-6-17-10-15-9-16-17/h4-5,8-11H,6-7H2,1-3H3.
What are the key properties of 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,2,4-triazole?
1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,2,4-triazole has a molecular weight of 245.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,2,4-triazole is sourced from PubChem (CID 976107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).