3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid

C17H15N3O3 — CID 46834953

IUPAC3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid
SMILESCOc1ccc(-c2cccc(C(=O)O)c2)n2nc(C3CC3)nc12
InChIInChI=1S/C17H15N3O3/c1-23-14-8-7-13(11-3-2-4-12(9-11)17(21)22)20-16(14)18-15(19-20)10-5-6-10/h2-4,7-10H,5-6H2,1H3,(H,21,22)
InChIKeyTYSOYNIBRDCGSX-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.98
Rot. Bonds4

About 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid

3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid (PubChem CID 46834953) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid.

Molecular Properties

Compound Name3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid
PubChem CID46834953
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid
SMILESCOc1ccc(-c2cccc(C(=O)O)c2)n2nc(C3CC3)nc12
InChIInChI=1S/C17H15N3O3/c1-23-14-8-7-13(11-3-2-4-12(9-11)17(21)22)20-16(14)18-15(19-20)10-5-6-10/h2-4,7-10H,5-6H2,1H3,(H,21,22)
InChIKeyTYSOYNIBRDCGSX-UHFFFAOYSA-N
XLogP2.98
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid?
The IUPAC name of 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid (CID 46834953) is 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid.
What is the SMILES notation for 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid?
The canonical SMILES for 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid is COc1ccc(-c2cccc(C(=O)O)c2)n2nc(C3CC3)nc12.
What is the InChIKey of 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid?
The InChIKey is TYSOYNIBRDCGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-23-14-8-7-13(11-3-2-4-12(9-11)17(21)22)20-16(14)18-15(19-20)10-5-6-10/h2-4,7-10H,5-6H2,1H3,(H,21,22).
What are the key properties of 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid?
3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid has a molecular weight of 309.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid is sourced from PubChem (CID 46834953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).