ethyl 2-(4,5-diphenyltriazol-2-yl)acetate

C18H17N3O2 — CID 59363121

IUPACethyl 2-(4,5-diphenyltriazol-2-yl)acetate
SMILESCCOC(=O)Cn1nc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C18H17N3O2/c1-2-23-16(22)13-21-19-17(14-9-5-3-6-10-14)18(20-21)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKeyDNSIHCROOVVQLU-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.18
Rot. Bonds5

About ethyl 2-(4,5-diphenyltriazol-2-yl)acetate

ethyl 2-(4,5-diphenyltriazol-2-yl)acetate (PubChem CID 59363121) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 2-(4,5-diphenyltriazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4,5-diphenyltriazol-2-yl)acetate
PubChem CID59363121
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Nameethyl 2-(4,5-diphenyltriazol-2-yl)acetate
SMILESCCOC(=O)Cn1nc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C18H17N3O2/c1-2-23-16(22)13-21-19-17(14-9-5-3-6-10-14)18(20-21)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKeyDNSIHCROOVVQLU-UHFFFAOYSA-N
XLogP3.18
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-chloro-5-methyl-3-phenylpyrazol-1-yl)acetate
CID 59813948
ethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-5-phenyltriazol-4-yl]-4-phenyltriazol-1-yl]acetate
CID 102307382
ethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate
CID 820314
ethyl 1-(2-ethoxy-2-oxoethyl)-5-(1-hydroxyethyl)-3-phenylpyrazole-4-carboxylate
CID 12677011
ethyl 2-(5-chloro-1,3-diphenylpyrazol-4-yl)acetate
CID 54099322
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
ethyl 2-(2-oxocyclohepta[b]pyrrol-1-yl)acetate
CID 56633212
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
CID 12894114
ethyl 2-[2-(furan-2-yl)-4,5-diphenylimidazol-1-yl]acetate
CID 2816996
ethyl 2-(4-phenylpiperazin-1-yl)acetate
CID 3044259
ethyl 2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]acetate
CID 11068777
(2-ethoxy-2-oxoethyl)-diphenylsulfanium
CID 15442561

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,5-diphenyltriazol-2-yl)acetate?
The IUPAC name of ethyl 2-(4,5-diphenyltriazol-2-yl)acetate (CID 59363121) is ethyl 2-(4,5-diphenyltriazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4,5-diphenyltriazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(4,5-diphenyltriazol-2-yl)acetate is CCOC(=O)Cn1nc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of ethyl 2-(4,5-diphenyltriazol-2-yl)acetate?
The InChIKey is DNSIHCROOVVQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-23-16(22)13-21-19-17(14-9-5-3-6-10-14)18(20-21)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3.
What are the key properties of ethyl 2-(4,5-diphenyltriazol-2-yl)acetate?
ethyl 2-(4,5-diphenyltriazol-2-yl)acetate has a molecular weight of 307.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,5-diphenyltriazol-2-yl)acetate is sourced from PubChem (CID 59363121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).