1-[[3-(4-methoxyphenyl)phenyl]methyl]-1,2,4-triazole

C16H15N3O — CID 23585516

IUPAC1-[[3-(4-methoxyphenyl)phenyl]methyl]-1,2,4-triazole
SMILESCOc1ccc(-c2cccc(Cn3cncn3)c2)cc1
InChIInChI=1S/C16H15N3O/c1-20-16-7-5-14(6-8-16)15-4-2-3-13(9-15)10-19-12-17-11-18-19/h2-9,11-12H,10H2,1H3
InChIKeyRNYUASZMNCMLQM-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.00
Rot. Bonds4

About 1-[[3-(4-methoxyphenyl)phenyl]methyl]-1,2,4-triazole

1-[[3-(4-methoxyphenyl)phenyl]methyl]-1,2,4-triazole (PubChem CID 23585516) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[[3-(4-methoxyphenyl)phenyl]methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[[3-(4-methoxyphenyl)phenyl]methyl]-1,2,4-triazole
PubChem CID23585516
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-[[3-(4-methoxyphenyl)phenyl]methyl]-1,2,4-triazole
SMILESCOc1ccc(-c2cccc(Cn3cncn3)c2)cc1
InChIInChI=1S/C16H15N3O/c1-20-16-7-5-14(6-8-16)15-4-2-3-13(9-15)10-19-12-17-11-18-19/h2-9,11-12H,10H2,1H3
InChIKeyRNYUASZMNCMLQM-UHFFFAOYSA-N
XLogP3.00
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-methoxyphenyl)phenyl]methyl]-1,2,4-triazole?
The IUPAC name of 1-[[3-(4-methoxyphenyl)phenyl]methyl]-1,2,4-triazole (CID 23585516) is 1-[[3-(4-methoxyphenyl)phenyl]methyl]-1,2,4-triazole.
What is the SMILES notation for 1-[[3-(4-methoxyphenyl)phenyl]methyl]-1,2,4-triazole?
The canonical SMILES for 1-[[3-(4-methoxyphenyl)phenyl]methyl]-1,2,4-triazole is COc1ccc(-c2cccc(Cn3cncn3)c2)cc1.
What is the InChIKey of 1-[[3-(4-methoxyphenyl)phenyl]methyl]-1,2,4-triazole?
The InChIKey is RNYUASZMNCMLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-16-7-5-14(6-8-16)15-4-2-3-13(9-15)10-19-12-17-11-18-19/h2-9,11-12H,10H2,1H3.
What are the key properties of 1-[[3-(4-methoxyphenyl)phenyl]methyl]-1,2,4-triazole?
1-[[3-(4-methoxyphenyl)phenyl]methyl]-1,2,4-triazole has a molecular weight of 265.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-methoxyphenyl)phenyl]methyl]-1,2,4-triazole is sourced from PubChem (CID 23585516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).