1-(4-methoxyphenyl)-5-methyl-4-phenyltriazole

C16H15N3O — CID 118737665

IUPAC1-(4-methoxyphenyl)-5-methyl-4-phenyltriazole
SMILESCOc1ccc(-n2nnc(-c3ccccc3)c2C)cc1
InChIInChI=1S/C16H15N3O/c1-12-16(13-6-4-3-5-7-13)17-18-19(12)14-8-10-15(20-2)11-9-14/h3-11H,1-2H3
InChIKeyNMSCYDDKSKBIMS-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.25
Rot. Bonds3

About 1-(4-methoxyphenyl)-5-methyl-4-phenyltriazole

1-(4-methoxyphenyl)-5-methyl-4-phenyltriazole (PubChem CID 118737665) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-methyl-4-phenyltriazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-methyl-4-phenyltriazole
PubChem CID118737665
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-(4-methoxyphenyl)-5-methyl-4-phenyltriazole
SMILESCOc1ccc(-n2nnc(-c3ccccc3)c2C)cc1
InChIInChI=1S/C16H15N3O/c1-12-16(13-6-4-3-5-7-13)17-18-19(12)14-8-10-15(20-2)11-9-14/h3-11H,1-2H3
InChIKeyNMSCYDDKSKBIMS-UHFFFAOYSA-N
XLogP3.25
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-methyl-4-phenyltriazole?
The IUPAC name of 1-(4-methoxyphenyl)-5-methyl-4-phenyltriazole (CID 118737665) is 1-(4-methoxyphenyl)-5-methyl-4-phenyltriazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-methyl-4-phenyltriazole?
The canonical SMILES for 1-(4-methoxyphenyl)-5-methyl-4-phenyltriazole is COc1ccc(-n2nnc(-c3ccccc3)c2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-methyl-4-phenyltriazole?
The InChIKey is NMSCYDDKSKBIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-16(13-6-4-3-5-7-13)17-18-19(12)14-8-10-15(20-2)11-9-14/h3-11H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-5-methyl-4-phenyltriazole?
1-(4-methoxyphenyl)-5-methyl-4-phenyltriazole has a molecular weight of 265.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-methyl-4-phenyltriazole is sourced from PubChem (CID 118737665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).