2-[5-(oxolan-3-yl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]acetic acid

C13H14N4O3 — CID 74238041

IUPAC2-[5-(oxolan-3-yl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(-c2ccncc2)nc1C1CCOC1
InChIInChI=1S/C13H14N4O3/c18-11(19)7-17-13(10-3-6-20-8-10)15-12(16-17)9-1-4-14-5-2-9/h1-2,4-5,10H,3,6-8H2,(H,18,19)
InChIKeyYYQRTONJSRJDPH-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.93
Rot. Bonds4

About 2-[5-(oxolan-3-yl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]acetic acid

2-[5-(oxolan-3-yl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]acetic acid (PubChem CID 74238041) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[5-(oxolan-3-yl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(oxolan-3-yl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]acetic acid
PubChem CID74238041
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-[5-(oxolan-3-yl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(-c2ccncc2)nc1C1CCOC1
InChIInChI=1S/C13H14N4O3/c18-11(19)7-17-13(10-3-6-20-8-10)15-12(16-17)9-1-4-14-5-2-9/h1-2,4-5,10H,3,6-8H2,(H,18,19)
InChIKeyYYQRTONJSRJDPH-UHFFFAOYSA-N
XLogP0.93
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(oxolan-3-yl)-3-pyridin-4-yl-1,2,4-triazol-1-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-[5-(oxolan-3-yl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(oxolan-3-yl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]acetic acid (CID 74238041) is 2-[5-(oxolan-3-yl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(oxolan-3-yl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(oxolan-3-yl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]acetic acid is O=C(O)Cn1nc(-c2ccncc2)nc1C1CCOC1.
What is the InChIKey of 2-[5-(oxolan-3-yl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]acetic acid?
The InChIKey is YYQRTONJSRJDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c18-11(19)7-17-13(10-3-6-20-8-10)15-12(16-17)9-1-4-14-5-2-9/h1-2,4-5,10H,3,6-8H2,(H,18,19).
What are the key properties of 2-[5-(oxolan-3-yl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]acetic acid?
2-[5-(oxolan-3-yl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]acetic acid has a molecular weight of 274.28 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(oxolan-3-yl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]acetic acid is sourced from PubChem (CID 74238041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).