1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole

C12H15N3O2 — CID 50852608

IUPAC1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole
SMILESCOCCn1cc(-c2ccc(OC)cc2)nn1
InChIInChI=1S/C12H15N3O2/c1-16-8-7-15-9-12(13-14-15)10-3-5-11(17-2)6-4-10/h3-6,9H,7-8H2,1-2H3
InChIKeyJAGGMUJRAQOIFA-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.60
Rot. Bonds5

About 1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole

1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole (PubChem CID 50852608) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole
PubChem CID50852608
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole
SMILESCOCCn1cc(-c2ccc(OC)cc2)nn1
InChIInChI=1S/C12H15N3O2/c1-16-8-7-15-9-12(13-14-15)10-3-5-11(17-2)6-4-10/h3-6,9H,7-8H2,1-2H3
InChIKeyJAGGMUJRAQOIFA-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole?
The IUPAC name of 1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole (CID 50852608) is 1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole.
What is the SMILES notation for 1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole?
The canonical SMILES for 1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole is COCCn1cc(-c2ccc(OC)cc2)nn1.
What is the InChIKey of 1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole?
The InChIKey is JAGGMUJRAQOIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-16-8-7-15-9-12(13-14-15)10-3-5-11(17-2)6-4-10/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole?
1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole has a molecular weight of 233.27 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole is sourced from PubChem (CID 50852608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).