1,4-bis(4-methoxyphenyl)triazole

C16H15N3O2 — CID 11694809

IUPAC1,4-bis(4-methoxyphenyl)triazole
SMILESCOc1ccc(-c2cn(-c3ccc(OC)cc3)nn2)cc1
InChIInChI=1S/C16H15N3O2/c1-20-14-7-3-12(4-8-14)16-11-19(18-17-16)13-5-9-15(21-2)10-6-13/h3-11H,1-2H3
InChIKeyADOOFUVEQCCEJM-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.95
Rot. Bonds4

About 1,4-bis(4-methoxyphenyl)triazole

1,4-bis(4-methoxyphenyl)triazole (PubChem CID 11694809) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1,4-bis(4-methoxyphenyl)triazole.

Molecular Properties

Compound Name1,4-bis(4-methoxyphenyl)triazole
PubChem CID11694809
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name1,4-bis(4-methoxyphenyl)triazole
SMILESCOc1ccc(-c2cn(-c3ccc(OC)cc3)nn2)cc1
InChIInChI=1S/C16H15N3O2/c1-20-14-7-3-12(4-8-14)16-11-19(18-17-16)13-5-9-15(21-2)10-6-13/h3-11H,1-2H3
InChIKeyADOOFUVEQCCEJM-UHFFFAOYSA-N
XLogP2.95
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-methoxyphenyl)triazole?
The IUPAC name of 1,4-bis(4-methoxyphenyl)triazole (CID 11694809) is 1,4-bis(4-methoxyphenyl)triazole.
What is the SMILES notation for 1,4-bis(4-methoxyphenyl)triazole?
The canonical SMILES for 1,4-bis(4-methoxyphenyl)triazole is COc1ccc(-c2cn(-c3ccc(OC)cc3)nn2)cc1.
What is the InChIKey of 1,4-bis(4-methoxyphenyl)triazole?
The InChIKey is ADOOFUVEQCCEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-20-14-7-3-12(4-8-14)16-11-19(18-17-16)13-5-9-15(21-2)10-6-13/h3-11H,1-2H3.
What are the key properties of 1,4-bis(4-methoxyphenyl)triazole?
1,4-bis(4-methoxyphenyl)triazole has a molecular weight of 281.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-methoxyphenyl)triazole is sourced from PubChem (CID 11694809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).