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

C14H15FN4O3 — CID 82557678

IUPAC2-amino-8-(2-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCOc1ccc(C2CCC(C(=O)O)n3nc(N)nc32)c(F)c1
InChIInChI=1S/C14H15FN4O3/c1-22-7-2-3-8(10(15)6-7)9-4-5-11(13(20)21)19-12(9)17-14(16)18-19/h2-3,6,9,11H,4-5H2,1H3,(H2,16,18)(H,20,21)
InChIKeyAWSPYDCOJFXUMD-UHFFFAOYSA-N
MW306.30 g/mol
LogP1.56
Rot. Bonds3

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

2-amino-8-(2-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 82557678) has the molecular formula C14H15FN4O3 and a molecular weight of 306.30 g/mol. Its IUPAC name is 2-amino-8-(2-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-8-(2-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID82557678
Molecular FormulaC14H15FN4O3
Molecular Weight306.30 g/mol
Exact Mass306.11
IUPAC Name2-amino-8-(2-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCOc1ccc(C2CCC(C(=O)O)n3nc(N)nc32)c(F)c1
InChIInChI=1S/C14H15FN4O3/c1-22-7-2-3-8(10(15)6-7)9-4-5-11(13(20)21)19-12(9)17-14(16)18-19/h2-3,6,9,11H,4-5H2,1H3,(H2,16,18)(H,20,21)
InChIKeyAWSPYDCOJFXUMD-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
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-(3-Fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557077
6-(2-Fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557142
6-(5-Fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557143
6-(3-Fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557144
6-(2-Fluoro-4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557276
6-(5-Fluoro-2-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557277

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(2-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-(2-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 82557678) is 2-amino-8-(2-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-(2-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-(2-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)c(F)c1.
What is the InChIKey of 2-amino-8-(2-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is AWSPYDCOJFXUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O3/c1-22-7-2-3-8(10(15)6-7)9-4-5-11(13(20)21)19-12(9)17-14(16)18-19/h2-3,6,9,11H,4-5H2,1H3,(H2,16,18)(H,20,21).
What are the key properties of 2-amino-8-(2-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-amino-8-(2-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-(2-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 82557678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).