3-(3-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole

C15H13N3O — CID 61343280

IUPAC3-(3-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole
SMILESCOc1cccc(-c2n[nH]c(-c3ccccc3)n2)c1
InChIInChI=1S/C15H13N3O/c1-19-13-9-5-8-12(10-13)15-16-14(17-18-15)11-6-3-2-4-7-11/h2-10H,1H3,(H,16,17,18)
InChIKeyTUZKSBDENMZZCL-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.15
Rot. Bonds3

About 3-(3-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole

3-(3-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole (PubChem CID 61343280) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole
PubChem CID61343280
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name3-(3-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole
SMILESCOc1cccc(-c2n[nH]c(-c3ccccc3)n2)c1
InChIInChI=1S/C15H13N3O/c1-19-13-9-5-8-12(10-13)15-16-14(17-18-15)11-6-3-2-4-7-11/h2-10H,1H3,(H,16,17,18)
InChIKeyTUZKSBDENMZZCL-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 3-(3-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole?
The IUPAC name of 3-(3-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole (CID 61343280) is 3-(3-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(3-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole is COc1cccc(-c2n[nH]c(-c3ccccc3)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole?
The InChIKey is TUZKSBDENMZZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-19-13-9-5-8-12(10-13)15-16-14(17-18-15)11-6-3-2-4-7-11/h2-10H,1H3,(H,16,17,18).
What are the key properties of 3-(3-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole?
3-(3-methoxyphenyl)-5-phenyl-1H-1,2,4-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 3-(3-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole is sourced from PubChem (CID 61343280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).