1-[(3-methoxyphenyl)methyl]-5-phenyltriazole

C16H15N3O — CID 14612079

IUPAC1-[(3-methoxyphenyl)methyl]-5-phenyltriazole
SMILESCOc1cccc(Cn2nncc2-c2ccccc2)c1
InChIInChI=1S/C16H15N3O/c1-20-15-9-5-6-13(10-15)12-19-16(11-17-18-19)14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChIKeyLCEMIKRFWWFPOV-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.00
Rot. Bonds4

About 1-[(3-methoxyphenyl)methyl]-5-phenyltriazole

1-[(3-methoxyphenyl)methyl]-5-phenyltriazole (PubChem CID 14612079) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-5-phenyltriazole.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-5-phenyltriazole
PubChem CID14612079
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-[(3-methoxyphenyl)methyl]-5-phenyltriazole
SMILESCOc1cccc(Cn2nncc2-c2ccccc2)c1
InChIInChI=1S/C16H15N3O/c1-20-15-9-5-6-13(10-15)12-19-16(11-17-18-19)14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChIKeyLCEMIKRFWWFPOV-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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Related Compounds

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CID 16736456
4-(1-(2,3-dimethoxybenzyl)-1H-1,2,3-triazol-4-yl)phenol
CID 50908752
(3R)-3-[4-(3-methoxyphenyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 89943908
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CID 11638573
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1-[(3-Methoxyphenyl)methyl]-4-(4-pentylphenyl)triazole
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4-(4-Methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole
CID 24793538
4-(4-Methoxyphenyl)-1-(naphthalen-2-ylmethyl)triazole
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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-5-phenyltriazole?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-5-phenyltriazole (CID 14612079) is 1-[(3-methoxyphenyl)methyl]-5-phenyltriazole.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-5-phenyltriazole?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-5-phenyltriazole is COc1cccc(Cn2nncc2-c2ccccc2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-5-phenyltriazole?
The InChIKey is LCEMIKRFWWFPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-15-9-5-6-13(10-15)12-19-16(11-17-18-19)14-7-3-2-4-8-14/h2-11H,12H2,1H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-5-phenyltriazole?
1-[(3-methoxyphenyl)methyl]-5-phenyltriazole 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-methoxyphenyl)methyl]-5-phenyltriazole is sourced from PubChem (CID 14612079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).