ethyl 2-phenyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)acetate

C15H14N4O2 — CID 79826968

IUPACethyl 2-phenyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)acetate
SMILESCCOC(=O)C(c1ccccc1)c1nnc2ccncn12
InChIInChI=1S/C15H14N4O2/c1-2-21-15(20)13(11-6-4-3-5-7-11)14-18-17-12-8-9-16-10-19(12)14/h3-10,13H,2H2,1H3
InChIKeyUZJHRQQOFZXSOU-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.82
Rot. Bonds4

About ethyl 2-phenyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)acetate

ethyl 2-phenyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)acetate (PubChem CID 79826968) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl 2-phenyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-phenyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)acetate
PubChem CID79826968
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Nameethyl 2-phenyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)acetate
SMILESCCOC(=O)C(c1ccccc1)c1nnc2ccncn12
InChIInChI=1S/C15H14N4O2/c1-2-21-15(20)13(11-6-4-3-5-7-11)14-18-17-12-8-9-16-10-19(12)14/h3-10,13H,2H2,1H3
InChIKeyUZJHRQQOFZXSOU-UHFFFAOYSA-N
XLogP1.82
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)pentanoate
CID 79822751
ethyl 2-phenyl-2-(4-propan-2-yl-1,2,4-triazol-3-yl)acetate
CID 79472734
ethyl 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-2-phenylacetate
CID 79472744
ethyl 2-phenylimidazo[1,2-c]pyrimidine-3-carboxylate
CID 137355302
ethyl 2-phenyl-2-pyridin-2-ylacetate
CID 10752615
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
ethyl 1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclohexane-1-carboxylate
CID 79823195
ethyl 2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)butanoate
CID 79471998
ethyl 2-methylpropanoate;isoquinoline
CID 158006464
ethyl 2-(3-methylphenyl)-2-(4-methyl-1,2,4-triazol-3-yl)acetate
CID 79471553
ethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate
CID 103822924
ethyl 2-(4-chlorophenyl)-2-(4,5-dimethyl-1,2,4-triazol-3-yl)acetate
CID 79474863

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)acetate?
The IUPAC name of ethyl 2-phenyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)acetate (CID 79826968) is ethyl 2-phenyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)acetate.
What is the SMILES notation for ethyl 2-phenyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)acetate?
The canonical SMILES for ethyl 2-phenyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)acetate is CCOC(=O)C(c1ccccc1)c1nnc2ccncn12.
What is the InChIKey of ethyl 2-phenyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)acetate?
The InChIKey is UZJHRQQOFZXSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-21-15(20)13(11-6-4-3-5-7-11)14-18-17-12-8-9-16-10-19(12)14/h3-10,13H,2H2,1H3.
What are the key properties of ethyl 2-phenyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)acetate?
ethyl 2-phenyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)acetate has a molecular weight of 282.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)acetate is sourced from PubChem (CID 79826968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).