ethyl 2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)acetate

C15H19N3O2 — CID 140656277

IUPACethyl 2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)acetate
SMILESCCOC(=O)Cc1nc(-c2ccccc2)nn1C(C)C
InChIInChI=1S/C15H19N3O2/c1-4-20-14(19)10-13-16-15(17-18(13)11(2)3)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3
InChIKeyIUYPBPOCMDTXLH-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.63
Rot. Bonds5

About ethyl 2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)acetate

ethyl 2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)acetate (PubChem CID 140656277) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is ethyl 2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)acetate
PubChem CID140656277
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nameethyl 2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)acetate
SMILESCCOC(=O)Cc1nc(-c2ccccc2)nn1C(C)C
InChIInChI=1S/C15H19N3O2/c1-4-20-14(19)10-13-16-15(17-18(13)11(2)3)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3
InChIKeyIUYPBPOCMDTXLH-UHFFFAOYSA-N
XLogP2.63
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-phenyl-1-propan-2-yl-1,2,4-triazole
CID 70372932
8-ethyl-5-methyl-2-[2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250989
ethyl 2-methyl-5-phenyl-1,2,4-triazole-3-carboxylate
CID 63355763
ethyl 2-(4,5-diphenyltriazol-2-yl)acetate
CID 59363121
ethyl 5-phenyl-1-propan-2-yltriazole-4-carboxylate
CID 103104608
ethyl 2-phenylacetate
CID 7590
ethyl 2-(5-chloro-1,3-diphenylpyrazol-4-yl)acetate
CID 54099322
1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)butan-1-one
CID 828601
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
CID 555559
ethyl 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)acetate
CID 79475353
ethyl 2-(2-phenylpyrimidin-4-yl)sulfanylacetate
CID 141154570

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)acetate?
The IUPAC name of ethyl 2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)acetate (CID 140656277) is ethyl 2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)acetate?
The canonical SMILES for ethyl 2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)acetate is CCOC(=O)Cc1nc(-c2ccccc2)nn1C(C)C.
What is the InChIKey of ethyl 2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)acetate?
The InChIKey is IUYPBPOCMDTXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-20-14(19)10-13-16-15(17-18(13)11(2)3)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3.
What are the key properties of ethyl 2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)acetate?
ethyl 2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)acetate has a molecular weight of 273.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-phenyl-2-propan-2-yl-1,2,4-triazol-3-yl)acetate is sourced from PubChem (CID 140656277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).