benzyl 2-(4,5-diphenyltriazol-1-yl)acetate

C23H19N3O2 — CID 59363132

IUPACbenzyl 2-(4,5-diphenyltriazol-1-yl)acetate
SMILESO=C(Cn1nnc(-c2ccccc2)c1-c1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H19N3O2/c27-21(28-17-18-10-4-1-5-11-18)16-26-23(20-14-8-3-9-15-20)22(24-25-26)19-12-6-2-7-13-19/h1-15H,16-17H2
InChIKeyQOGHUNMXGUFGKG-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.36
Rot. Bonds6

About benzyl 2-(4,5-diphenyltriazol-1-yl)acetate

benzyl 2-(4,5-diphenyltriazol-1-yl)acetate (PubChem CID 59363132) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is benzyl 2-(4,5-diphenyltriazol-1-yl)acetate.

Molecular Properties

Compound Namebenzyl 2-(4,5-diphenyltriazol-1-yl)acetate
PubChem CID59363132
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Namebenzyl 2-(4,5-diphenyltriazol-1-yl)acetate
SMILESO=C(Cn1nnc(-c2ccccc2)c1-c1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H19N3O2/c27-21(28-17-18-10-4-1-5-11-18)16-26-23(20-14-8-3-9-15-20)22(24-25-26)19-12-6-2-7-13-19/h1-15H,16-17H2
InChIKeyQOGHUNMXGUFGKG-UHFFFAOYSA-N
XLogP4.36
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-5-phenyltriazol-4-yl]-4-phenyltriazol-1-yl]acetate
CID 102307382
tert-butyl 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetate
CID 134313439
2-(4,5-diphenyltriazol-1-yl)-N-methylacetamide
CID 59363214
1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole
CID 139239898
8-(4,5-diphenyltriazol-1-yl)octanoic acid
CID 22916407
(3-benzyl-5-phenyltriazol-4-yl)methyl acetate
CID 138980861
butyl 2-(4-acetyl-5-phenyltriazol-1-yl)acetate
CID 82202839
butyl 2-[4,5-bis(3-chlorophenyl)triazol-1-yl]acetate
CID 59363269
pentan-3-yl 2-[4,5-bis(4-chlorophenyl)triazol-1-yl]acetate
CID 59363183
benzyl 2-[5-chloro-3-(ethylamino)-2-oxo-6-phenylpyrazin-1-yl]acetate
CID 11143781
(4-carbamoylphenyl)methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 26968408
benzyl 2-(azetidin-1-yl)acetate
CID 140980014

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4,5-diphenyltriazol-1-yl)acetate?
The IUPAC name of benzyl 2-(4,5-diphenyltriazol-1-yl)acetate (CID 59363132) is benzyl 2-(4,5-diphenyltriazol-1-yl)acetate.
What is the SMILES notation for benzyl 2-(4,5-diphenyltriazol-1-yl)acetate?
The canonical SMILES for benzyl 2-(4,5-diphenyltriazol-1-yl)acetate is O=C(Cn1nnc(-c2ccccc2)c1-c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl 2-(4,5-diphenyltriazol-1-yl)acetate?
The InChIKey is QOGHUNMXGUFGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-21(28-17-18-10-4-1-5-11-18)16-26-23(20-14-8-3-9-15-20)22(24-25-26)19-12-6-2-7-13-19/h1-15H,16-17H2.
What are the key properties of benzyl 2-(4,5-diphenyltriazol-1-yl)acetate?
benzyl 2-(4,5-diphenyltriazol-1-yl)acetate has a molecular weight of 369.42 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4,5-diphenyltriazol-1-yl)acetate is sourced from PubChem (CID 59363132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).