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

C10H15N3O3 — CID 117157106

IUPAC2-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCOCCc1nc2n(n1)CCCC2C(=O)O
InChIInChI=1S/C10H15N3O3/c1-16-6-4-8-11-9-7(10(14)15)3-2-5-13(9)12-8/h7H,2-6H2,1H3,(H,14,15)
InChIKeyWYSPNDGKNGISCK-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.43
Rot. Bonds4

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

2-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 117157106) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID117157106
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCOCCc1nc2n(n1)CCCC2C(=O)O
InChIInChI=1S/C10H15N3O3/c1-16-6-4-8-11-9-7(10(14)15)3-2-5-13(9)12-8/h7H,2-6H2,1H3,(H,14,15)
InChIKeyWYSPNDGKNGISCK-UHFFFAOYSA-N
XLogP0.43
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methoxyethyl)-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-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
2-[(3-methoxyphenoxy)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 83965706
3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117151863
2-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157212
2-(1-methylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157199
2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82567782
2-(1-ethylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157202
3-(8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-1-amine
CID 83966839
methyl 2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117128350
methyl 1-chloro-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117249542

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 117157106) is 2-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is COCCc1nc2n(n1)CCCC2C(=O)O.
What is the InChIKey of 2-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is WYSPNDGKNGISCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-16-6-4-8-11-9-7(10(14)15)3-2-5-13(9)12-8/h7H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
2-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117157106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).