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

C14H15FN4O3 — CID 82557482

IUPAC2-amino-6-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCOc1ccc(C2CC(C(=O)O)c3nc(N)nn3C2)cc1F
InChIInChI=1S/C14H15FN4O3/c1-22-11-3-2-7(5-10(11)15)8-4-9(13(20)21)12-17-14(16)18-19(12)6-8/h2-3,5,8-9H,4,6H2,1H3,(H2,16,18)(H,20,21)
InChIKeyPDRUQJCBASXCDK-UHFFFAOYSA-N
MW306.30 g/mol
LogP1.36
Rot. Bonds3

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

2-amino-6-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 82557482) has the molecular formula C14H15FN4O3 and a molecular weight of 306.30 g/mol. Its IUPAC name is 2-amino-6-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID82557482
Molecular FormulaC14H15FN4O3
Molecular Weight306.30 g/mol
Exact Mass306.11
IUPAC Name2-amino-6-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCOc1ccc(C2CC(C(=O)O)c3nc(N)nn3C2)cc1F
InChIInChI=1S/C14H15FN4O3/c1-22-11-3-2-7(5-10(11)15)8-4-9(13(20)21)12-17-14(16)18-19(12)6-8/h2-3,5,8-9H,4,6H2,1H3,(H2,16,18)(H,20,21)
InChIKeyPDRUQJCBASXCDK-UHFFFAOYSA-N
XLogP1.36
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 5-hydroxy-7-(4-methoxyphenyl)-5-methyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate
CID 3875506
8-[4-(Trifluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 141512192
7-[4-[1-[3-(Trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]heptanoic acid
CID 164518232
methyl (5S,6S,7R)-5-hydroxy-7-(4-methoxyphenyl)-5-methyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate
CID 2470216
3-(4-Fluoro-3-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 81495378
3-(3-Fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 81496499
3-(2-Fluoro-6-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 81496946
8-(2-Fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557008
8-(5-Fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557009
8-(3-Fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557010
7-(2-Fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557075
7-(5-Fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557076

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-amino-6-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 82557482) is 2-amino-6-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-amino-6-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-amino-6-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is COc1ccc(C2CC(C(=O)O)c3nc(N)nn3C2)cc1F.
What is the InChIKey of 2-amino-6-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is PDRUQJCBASXCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O3/c1-22-11-3-2-7(5-10(11)15)8-4-9(13(20)21)12-17-14(16)18-19(12)6-8/h2-3,5,8-9H,4,6H2,1H3,(H2,16,18)(H,20,21).
What are the key properties of 2-amino-6-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
2-amino-6-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 306.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 82557482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).