4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole

C12H15N3O2 — CID 121000875

IUPAC4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole
SMILESCCOCc1cn(-c2ccc(OC)cc2)nn1
InChIInChI=1S/C12H15N3O2/c1-3-17-9-10-8-15(14-13-10)11-4-6-12(16-2)7-5-11/h4-8H,3,9H2,1-2H3
InChIKeyUFVVUYPTMBUKPI-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.81
Rot. Bonds5

About 4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole

4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole (PubChem CID 121000875) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole.

Molecular Properties

Compound Name4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole
PubChem CID121000875
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole
SMILESCCOCc1cn(-c2ccc(OC)cc2)nn1
InChIInChI=1S/C12H15N3O2/c1-3-17-9-10-8-15(14-13-10)11-4-6-12(16-2)7-5-11/h4-8H,3,9H2,1-2H3
InChIKeyUFVVUYPTMBUKPI-UHFFFAOYSA-N
XLogP1.81
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole?
The IUPAC name of 4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole (CID 121000875) is 4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole.
What is the SMILES notation for 4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole?
The canonical SMILES for 4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole is CCOCc1cn(-c2ccc(OC)cc2)nn1.
What is the InChIKey of 4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole?
The InChIKey is UFVVUYPTMBUKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-17-9-10-8-15(14-13-10)11-4-6-12(16-2)7-5-11/h4-8H,3,9H2,1-2H3.
What are the key properties of 4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole?
4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole has a molecular weight of 233.27 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-1-(4-methoxyphenyl)triazole is sourced from PubChem (CID 121000875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).