4-(4-methoxyphenyl)-5-phenyl-2H-triazole

C15H13N3O — CID 102244181

IUPAC4-(4-methoxyphenyl)-5-phenyl-2H-triazole
SMILESCOc1ccc(-c2n[nH]nc2-c2ccccc2)cc1
InChIInChI=1S/C15H13N3O/c1-19-13-9-7-12(8-10-13)15-14(16-18-17-15)11-5-3-2-4-6-11/h2-10H,1H3,(H,16,17,18)
InChIKeyRUYOYJZMSFPUTC-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.15
Rot. Bonds3

About 4-(4-methoxyphenyl)-5-phenyl-2H-triazole

4-(4-methoxyphenyl)-5-phenyl-2H-triazole (PubChem CID 102244181) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-phenyl-2H-triazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-phenyl-2H-triazole
PubChem CID102244181
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-(4-methoxyphenyl)-5-phenyl-2H-triazole
SMILESCOc1ccc(-c2n[nH]nc2-c2ccccc2)cc1
InChIInChI=1S/C15H13N3O/c1-19-13-9-7-12(8-10-13)15-14(16-18-17-15)11-5-3-2-4-6-11/h2-10H,1H3,(H,16,17,18)
InChIKeyRUYOYJZMSFPUTC-UHFFFAOYSA-N
XLogP3.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-phenyl-2H-triazole?
The IUPAC name of 4-(4-methoxyphenyl)-5-phenyl-2H-triazole (CID 102244181) is 4-(4-methoxyphenyl)-5-phenyl-2H-triazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-phenyl-2H-triazole?
The canonical SMILES for 4-(4-methoxyphenyl)-5-phenyl-2H-triazole is COc1ccc(-c2n[nH]nc2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-phenyl-2H-triazole?
The InChIKey is RUYOYJZMSFPUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-19-13-9-7-12(8-10-13)15-14(16-18-17-15)11-5-3-2-4-6-11/h2-10H,1H3,(H,16,17,18).
What are the key properties of 4-(4-methoxyphenyl)-5-phenyl-2H-triazole?
4-(4-methoxyphenyl)-5-phenyl-2H-triazole has a molecular weight of 251.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-phenyl-2H-triazole is sourced from PubChem (CID 102244181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).