(1-benzyltriazol-4-yl)methyl benzoate

C17H15N3O2 — CID 16745949

IUPAC(1-benzyltriazol-4-yl)methyl benzoate
SMILESO=C(OCc1cn(Cc2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C17H15N3O2/c21-17(15-9-5-2-6-10-15)22-13-16-12-20(19-18-16)11-14-7-3-1-4-8-14/h1-10,12H,11,13H2
InChIKeyGWOLYWPMEYWNSU-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.68
Rot. Bonds5

About (1-benzyltriazol-4-yl)methyl benzoate

(1-benzyltriazol-4-yl)methyl benzoate (PubChem CID 16745949) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is (1-benzyltriazol-4-yl)methyl benzoate.

Molecular Properties

Compound Name(1-benzyltriazol-4-yl)methyl benzoate
PubChem CID16745949
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name(1-benzyltriazol-4-yl)methyl benzoate
SMILESO=C(OCc1cn(Cc2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C17H15N3O2/c21-17(15-9-5-2-6-10-15)22-13-16-12-20(19-18-16)11-14-7-3-1-4-8-14/h1-10,12H,11,13H2
InChIKeyGWOLYWPMEYWNSU-UHFFFAOYSA-N
XLogP2.68
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl benzoate
CID 53230451
(1-benzyltriazol-4-yl)methyl 3-phenylprop-2-ynoate
CID 135031356
(1-benzyltriazol-4-yl)methyl (E)-3-phenylprop-2-enoate
CID 102443145
[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methyl benzoate
CID 155532388
(1-benzyltriazol-4-yl)methyl 2-(1H-indol-3-yl)-2-oxoacetate
CID 102497056
2-amino-3-(1-benzyltriazol-4-yl)propanoic acid
CID 24884626
dimethyl 2-[(1-benzyltriazol-4-yl)methyl]propanedioate
CID 132562921
1,4-dibenzyltriazole
CID 56663361
[4-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methoxy]phenyl]-phenylmethanone
CID 134818047
2-(1-benzyltriazol-4-yl)ethanamine
CID 83638080
bis[[1-(2-phenylethyl)triazol-4-yl]methyl] propanedioate
CID 70688213
benzyl benzoate
CID 2345

Frequently Asked Questions

What is the IUPAC name of (1-benzyltriazol-4-yl)methyl benzoate?
The IUPAC name of (1-benzyltriazol-4-yl)methyl benzoate (CID 16745949) is (1-benzyltriazol-4-yl)methyl benzoate.
What is the SMILES notation for (1-benzyltriazol-4-yl)methyl benzoate?
The canonical SMILES for (1-benzyltriazol-4-yl)methyl benzoate is O=C(OCc1cn(Cc2ccccc2)nn1)c1ccccc1.
What is the InChIKey of (1-benzyltriazol-4-yl)methyl benzoate?
The InChIKey is GWOLYWPMEYWNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-17(15-9-5-2-6-10-15)22-13-16-12-20(19-18-16)11-14-7-3-1-4-8-14/h1-10,12H,11,13H2.
What are the key properties of (1-benzyltriazol-4-yl)methyl benzoate?
(1-benzyltriazol-4-yl)methyl benzoate has a molecular weight of 293.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyltriazol-4-yl)methyl benzoate is sourced from PubChem (CID 16745949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).