ethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-5-phenyltriazol-4-yl]-4-phenyltriazol-1-yl]acetate

C24H24N6O4 — CID 102307382

IUPACethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-5-phenyltriazol-4-yl]-4-phenyltriazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnc(-c2ccccc2)c1-c1c(-c2ccccc2)nnn1CC(=O)OCC
InChIInChI=1S/C24H24N6O4/c1-3-33-19(31)15-29-23(21(25-27-29)17-11-7-5-8-12-17)24-22(18-13-9-6-10-14-18)26-28-30(24)16-20(32)34-4-2/h5-14H,3-4,15-16H2,1-2H3
InChIKeyHUFZRLQCPWGSQD-UHFFFAOYSA-N
MW460.49 g/mol
LogP3.00
Rot. Bonds9

About ethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-5-phenyltriazol-4-yl]-4-phenyltriazol-1-yl]acetate

ethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-5-phenyltriazol-4-yl]-4-phenyltriazol-1-yl]acetate (PubChem CID 102307382) has the molecular formula C24H24N6O4 and a molecular weight of 460.49 g/mol. Its IUPAC name is ethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-5-phenyltriazol-4-yl]-4-phenyltriazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-5-phenyltriazol-4-yl]-4-phenyltriazol-1-yl]acetate
PubChem CID102307382
Molecular FormulaC24H24N6O4
Molecular Weight460.49 g/mol
Exact Mass460.19
IUPAC Nameethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-5-phenyltriazol-4-yl]-4-phenyltriazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnc(-c2ccccc2)c1-c1c(-c2ccccc2)nnn1CC(=O)OCC
InChIInChI=1S/C24H24N6O4/c1-3-33-19(31)15-29-23(21(25-27-29)17-11-7-5-8-12-17)24-22(18-13-9-6-10-14-18)26-28-30(24)16-20(32)34-4-2/h5-14H,3-4,15-16H2,1-2H3
InChIKeyHUFZRLQCPWGSQD-UHFFFAOYSA-N
XLogP3.00
TPSA114.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

benzyl 2-(4,5-diphenyltriazol-1-yl)acetate
CID 59363132
ethyl 2-(4,5-diphenyltriazol-2-yl)acetate
CID 59363121
ethyl 2-(4-chloro-5-methyl-3-phenylpyrazol-1-yl)acetate
CID 59813948
tert-butyl 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetate
CID 134313439
2-(4,5-diphenyltriazol-1-yl)-N-methylacetamide
CID 59363214
ethyl 1-(2-ethoxy-2-oxoethyl)-5-(1-hydroxyethyl)-3-phenylpyrazole-4-carboxylate
CID 12677011
butyl 2-(4-acetyl-5-phenyltriazol-1-yl)acetate
CID 82202839
ethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate
CID 820314
butyl 2-[4,5-bis(3-chlorophenyl)triazol-1-yl]acetate
CID 59363269
ethyl 2-(4-chloro-6-oxo-5-phenylpyridazin-1-yl)acetate
CID 162727287
pentan-3-yl 2-[4,5-bis(4-chlorophenyl)triazol-1-yl]acetate
CID 59363183
ethyl 2-[5-(2-formylphenyl)tetrazol-1-yl]acetate
CID 123626176

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-5-phenyltriazol-4-yl]-4-phenyltriazol-1-yl]acetate?
The IUPAC name of ethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-5-phenyltriazol-4-yl]-4-phenyltriazol-1-yl]acetate (CID 102307382) is ethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-5-phenyltriazol-4-yl]-4-phenyltriazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-5-phenyltriazol-4-yl]-4-phenyltriazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-5-phenyltriazol-4-yl]-4-phenyltriazol-1-yl]acetate is CCOC(=O)Cn1nnc(-c2ccccc2)c1-c1c(-c2ccccc2)nnn1CC(=O)OCC.
What is the InChIKey of ethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-5-phenyltriazol-4-yl]-4-phenyltriazol-1-yl]acetate?
The InChIKey is HUFZRLQCPWGSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4/c1-3-33-19(31)15-29-23(21(25-27-29)17-11-7-5-8-12-17)24-22(18-13-9-6-10-14-18)26-28-30(24)16-20(32)34-4-2/h5-14H,3-4,15-16H2,1-2H3.
What are the key properties of ethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-5-phenyltriazol-4-yl]-4-phenyltriazol-1-yl]acetate?
ethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-5-phenyltriazol-4-yl]-4-phenyltriazol-1-yl]acetate has a molecular weight of 460.49 g/mol, XLogP of 3.00, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-5-phenyltriazol-4-yl]-4-phenyltriazol-1-yl]acetate is sourced from PubChem (CID 102307382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).