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

C10H15N3O3 — CID 117151863

IUPAC3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESCOCCc1nnc2n1CCCC2C(=O)O
InChIInChI=1S/C10H15N3O3/c1-16-6-4-8-11-12-9-7(10(14)15)3-2-5-13(8)9/h7H,2-6H2,1H3,(H,14,15)
InChIKeyGJFBLURUEPHWRY-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.43
Rot. Bonds4

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

3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (PubChem CID 117151863) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
PubChem CID117151863
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESCOCCc1nnc2n1CCCC2C(=O)O
InChIInChI=1S/C10H15N3O3/c1-16-6-4-8-11-12-9-7(10(14)15)3-2-5-13(8)9/h7H,2-6H2,1H3,(H,14,15)
InChIKeyGJFBLURUEPHWRY-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 3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid with MolForge

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Related Compounds

3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride
CID 146049793
3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82391986
2-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157106
3-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117151991
3-(1-ethylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117151946
3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117152080
methyl 1-chloro-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117249542
3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117152061
3-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117151935
8-ethyl-3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791574
2-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 117152404
3-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117152016

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (CID 117151863) is 3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is COCCc1nnc2n1CCCC2C(=O)O.
What is the InChIKey of 3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The InChIKey is GJFBLURUEPHWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-16-6-4-8-11-12-9-7(10(14)15)3-2-5-13(8)9/h7H,2-6H2,1H3,(H,14,15).
What are the key properties of 3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-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 3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117151863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).