2-[7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid

C15H14N4O2 — CID 103201002

IUPAC2-[7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid
SMILESCCc1ccc(-c2ccnc3nc(CC(=O)O)nn23)cc1
InChIInChI=1S/C15H14N4O2/c1-2-10-3-5-11(6-4-10)12-7-8-16-15-17-13(9-14(20)21)18-19(12)15/h3-8H,2,9H2,1H3,(H,20,21)
InChIKeyUNCYQVVQDAVNTK-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.98
Rot. Bonds4

About 2-[7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid

2-[7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid (PubChem CID 103201002) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid
PubChem CID103201002
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-[7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid
SMILESCCc1ccc(-c2ccnc3nc(CC(=O)O)nn23)cc1
InChIInChI=1S/C15H14N4O2/c1-2-10-3-5-11(6-4-10)12-7-8-16-15-17-13(9-14(20)21)18-19(12)15/h3-8H,2,9H2,1H3,(H,20,21)
InChIKeyUNCYQVVQDAVNTK-UHFFFAOYSA-N
XLogP1.98
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid?
The IUPAC name of 2-[7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid (CID 103201002) is 2-[7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid.
What is the SMILES notation for 2-[7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid?
The canonical SMILES for 2-[7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid is CCc1ccc(-c2ccnc3nc(CC(=O)O)nn23)cc1.
What is the InChIKey of 2-[7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid?
The InChIKey is UNCYQVVQDAVNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-10-3-5-11(6-4-10)12-7-8-16-15-17-13(9-14(20)21)18-19(12)15/h3-8H,2,9H2,1H3,(H,20,21).
What are the key properties of 2-[7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid?
2-[7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid has a molecular weight of 282.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid is sourced from PubChem (CID 103201002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).