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

C19H14N4O2 — CID 44624292

IUPAC4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1
InChIInChI=1S/C19H14N4O2/c24-18(25)14-11-9-13(10-12-14)16-7-4-8-17-21-19(22-23(16)17)20-15-5-2-1-3-6-15/h1-12H,(H,20,22)(H,24,25)
InChIKeyKJMYOSYUXUQGCV-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.84
Rot. Bonds4

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

4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid (PubChem CID 44624292) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid.

Molecular Properties

Compound Name4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid
PubChem CID44624292
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1
InChIInChI=1S/C19H14N4O2/c24-18(25)14-11-9-13(10-12-14)16-7-4-8-17-21-19(22-23(16)17)20-15-5-2-1-3-6-15/h1-12H,(H,20,22)(H,24,25)
InChIKeyKJMYOSYUXUQGCV-UHFFFAOYSA-N
XLogP3.84
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid?
The IUPAC name of 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid (CID 44624292) is 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid.
What is the SMILES notation for 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid?
The canonical SMILES for 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid is O=C(O)c1ccc(-c2cccc3nc(Nc4ccccc4)nn23)cc1.
What is the InChIKey of 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid?
The InChIKey is KJMYOSYUXUQGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c24-18(25)14-11-9-13(10-12-14)16-7-4-8-17-21-19(22-23(16)17)20-15-5-2-1-3-6-15/h1-12H,(H,20,22)(H,24,25).
What are the key properties of 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid?
4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid has a molecular weight of 330.35 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid is sourced from PubChem (CID 44624292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).