1-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)triazole

C17H17N3O2 — CID 161465182

IUPAC1-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)triazole
SMILESCOc1ccc(OC)c(-n2cc(-c3ccccc3C)nn2)c1
InChIInChI=1S/C17H17N3O2/c1-12-6-4-5-7-14(12)15-11-20(19-18-15)16-10-13(21-2)8-9-17(16)22-3/h4-11H,1-3H3
InChIKeyWCIGVNLCENXRCX-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.26
Rot. Bonds4

About 1-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)triazole

1-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)triazole (PubChem CID 161465182) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)triazole.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)triazole
PubChem CID161465182
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)triazole
SMILESCOc1ccc(OC)c(-n2cc(-c3ccccc3C)nn2)c1
InChIInChI=1S/C17H17N3O2/c1-12-6-4-5-7-14(12)15-11-20(19-18-15)16-10-13(21-2)8-9-17(16)22-3/h4-11H,1-3H3
InChIKeyWCIGVNLCENXRCX-UHFFFAOYSA-N
XLogP3.26
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)triazole?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)triazole (CID 161465182) is 1-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)triazole.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)triazole?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)triazole is COc1ccc(OC)c(-n2cc(-c3ccccc3C)nn2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)triazole?
The InChIKey is WCIGVNLCENXRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-6-4-5-7-14(12)15-11-20(19-18-15)16-10-13(21-2)8-9-17(16)22-3/h4-11H,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)triazole?
1-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)triazole has a molecular weight of 295.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)triazole is sourced from PubChem (CID 161465182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).