2-amino-8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

C14H15FN4O3 — CID 82557680

About 2-amino-8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

2-amino-8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 82557680) has the molecular formula C14H15FN4O3 and a molecular weight of 306.30 g/mol. Its IUPAC name is 2-amino-8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-amino-8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
• PubChem CID: 82557680
• Molecular Formula: C14H15FN4O3
• Molecular Weight: 306.30 g/mol
• Exact Mass: 306.11
• IUPAC Name: 2-amino-8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
• SMILES: COc1ccc(C2CCC(C(=O)O)n3nc(N)nc32)cc1F
• InChI: InChI=1S/C14H15FN4O3/c1-22-11-5-2-7(6-9(11)15)8-3-4-10(13(20)21)19-12(8)17-14(16)18-19/h2,5-6,8,10H,3-4H2,1H3,(H2,16,18)(H,20,21)
• InChIKey: PLHMKFXOZLQDPX-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 103.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.30
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?

The IUPAC name of 2-amino-8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 82557680) is 2-amino-8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

What is the SMILES notation for 2-amino-8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?

The canonical SMILES for 2-amino-8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is COc1ccc(C2CCC(C(=O)O)n3nc(N)nc32)cc1F.

What is the InChIKey of 2-amino-8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?

The InChIKey is PLHMKFXOZLQDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O3/c1-22-11-5-2-7(6-9(11)15)8-3-4-10(13(20)21)19-12(8)17-14(16)18-19/h2,5-6,8,10H,3-4H2,1H3,(H2,16,18)(H,20,21).

What are the key properties of 2-amino-8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?

2-amino-8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 306.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-8-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 82557680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).