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

C15H17N3O4 — CID 83965706

IUPAC2-[(3-methoxyphenoxy)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCOc1cccc(OCc2nc3n(n2)CCCC3C(=O)O)c1
InChIInChI=1S/C15H17N3O4/c1-21-10-4-2-5-11(8-10)22-9-13-16-14-12(15(19)20)6-3-7-18(14)17-13/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,19,20)
InChIKeyDYSJFNPDZXQQHS-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.83
Rot. Bonds5

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

2-[(3-methoxyphenoxy)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 83965706) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[(3-methoxyphenoxy)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methoxyphenoxy)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID83965706
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-[(3-methoxyphenoxy)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCOc1cccc(OCc2nc3n(n2)CCCC3C(=O)O)c1
InChIInChI=1S/C15H17N3O4/c1-21-10-4-2-5-11(8-10)22-9-13-16-14-12(15(19)20)6-3-7-18(14)17-13/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,19,20)
InChIKeyDYSJFNPDZXQQHS-UHFFFAOYSA-N
XLogP1.83
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157106
3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117152061
2-[(3-methoxyphenoxy)methyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 83965631
(2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 39165023
2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82567773
2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157161
2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157219
(4-cyclopentylpiperazin-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 24816881
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42120570
N-cycloheptyl-N-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 56760301
2-[(3-methoxyphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid
CID 82169766
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 124687501

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenoxy)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-[(3-methoxyphenoxy)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 83965706) is 2-[(3-methoxyphenoxy)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-[(3-methoxyphenoxy)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-[(3-methoxyphenoxy)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is COc1cccc(OCc2nc3n(n2)CCCC3C(=O)O)c1.
What is the InChIKey of 2-[(3-methoxyphenoxy)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is DYSJFNPDZXQQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-21-10-4-2-5-11(8-10)22-9-13-16-14-12(15(19)20)6-3-7-18(14)17-13/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,19,20).
What are the key properties of 2-[(3-methoxyphenoxy)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
2-[(3-methoxyphenoxy)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenoxy)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 83965706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).