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

C17H15N3O3 — CID 46830628

IUPAC4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)cc2)n2nc(C3CC3)nc12
InChIInChI=1S/C17H15N3O3/c1-23-14-9-8-13(10-2-6-12(7-3-10)17(21)22)20-16(14)18-15(19-20)11-4-5-11/h2-3,6-9,11H,4-5H2,1H3,(H,21,22)
InChIKeyZEVNFRHGVNFOKO-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.98
Rot. Bonds4

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

4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid (PubChem CID 46830628) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid.

Molecular Properties

Compound Name4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid
PubChem CID46830628
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)cc2)n2nc(C3CC3)nc12
InChIInChI=1S/C17H15N3O3/c1-23-14-9-8-13(10-2-6-12(7-3-10)17(21)22)20-16(14)18-15(19-20)11-4-5-11/h2-3,6-9,11H,4-5H2,1H3,(H,21,22)
InChIKeyZEVNFRHGVNFOKO-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 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid?
The IUPAC name of 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid (CID 46830628) is 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid.
What is the SMILES notation for 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid?
The canonical SMILES for 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid is COc1ccc(-c2ccc(C(=O)O)cc2)n2nc(C3CC3)nc12.
What is the InChIKey of 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid?
The InChIKey is ZEVNFRHGVNFOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-23-14-9-8-13(10-2-6-12(7-3-10)17(21)22)20-16(14)18-15(19-20)11-4-5-11/h2-3,6-9,11H,4-5H2,1H3,(H,21,22).
What are the key properties of 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid?
4-(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 4-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid is sourced from PubChem (CID 46830628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).