ethyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetate

C10H11N5O3 — CID 4299604

IUPACethyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)c1nc2ncccn2n1
InChIInChI=1S/C10H11N5O3/c1-2-18-7(16)6-12-9(17)8-13-10-11-4-3-5-15(10)14-8/h3-5H,2,6H2,1H3,(H,12,17)
InChIKeySPKYSOCIHAIYOA-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.58
Rot. Bonds4

About ethyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetate

ethyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetate (PubChem CID 4299604) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is ethyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetate
PubChem CID4299604
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Nameethyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)c1nc2ncccn2n1
InChIInChI=1S/C10H11N5O3/c1-2-18-7(16)6-12-9(17)8-13-10-11-4-3-5-15(10)14-8/h3-5H,2,6H2,1H3,(H,12,17)
InChIKeySPKYSOCIHAIYOA-UHFFFAOYSA-N
XLogP-0.58
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetate?
The IUPAC name of ethyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetate (CID 4299604) is ethyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetate.
What is the SMILES notation for ethyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetate?
The canonical SMILES for ethyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetate is CCOC(=O)CNC(=O)c1nc2ncccn2n1.
What is the InChIKey of ethyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetate?
The InChIKey is SPKYSOCIHAIYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-2-18-7(16)6-12-9(17)8-13-10-11-4-3-5-15(10)14-8/h3-5H,2,6H2,1H3,(H,12,17).
What are the key properties of ethyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetate?
ethyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetate has a molecular weight of 249.23 g/mol, XLogP of -0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)acetate is sourced from PubChem (CID 4299604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).