5-cyclopropyl-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid

C11H12N4O3 — CID 104816759

IUPAC5-cyclopropyl-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCCOc1nc2nc(C3CC3)cc(C(=O)O)n2n1
InChIInChI=1S/C11H12N4O3/c1-2-18-11-13-10-12-7(6-3-4-6)5-8(9(16)17)15(10)14-11/h5-6H,2-4H2,1H3,(H,16,17)
InChIKeyYWRLIHCCZYSTDV-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.10
Rot. Bonds4

About 5-cyclopropyl-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid

5-cyclopropyl-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 104816759) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID104816759
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name5-cyclopropyl-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCCOc1nc2nc(C3CC3)cc(C(=O)O)n2n1
InChIInChI=1S/C11H12N4O3/c1-2-18-11-13-10-12-7(6-3-4-6)5-8(9(16)17)15(10)14-11/h5-6H,2-4H2,1H3,(H,16,17)
InChIKeyYWRLIHCCZYSTDV-UHFFFAOYSA-N
XLogP1.10
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 104816759) is 5-cyclopropyl-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid is CCOc1nc2nc(C3CC3)cc(C(=O)O)n2n1.
What is the InChIKey of 5-cyclopropyl-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is YWRLIHCCZYSTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-2-18-11-13-10-12-7(6-3-4-6)5-8(9(16)17)15(10)14-11/h5-6H,2-4H2,1H3,(H,16,17).
What are the key properties of 5-cyclopropyl-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
5-cyclopropyl-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 104816759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).