2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid

C13H15N3O3 — CID 117129285

IUPAC2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(CC3CCOCC3)nn2c1
InChIInChI=1S/C13H15N3O3/c17-13(18)10-1-2-12-14-11(15-16(12)8-10)7-9-3-5-19-6-4-9/h1-2,8-9H,3-7H2,(H,17,18)
InChIKeyGIRGJCATUFENQM-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.40
Rot. Bonds3

About 2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid

2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 117129285) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
PubChem CID117129285
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(CC3CCOCC3)nn2c1
InChIInChI=1S/C13H15N3O3/c17-13(18)10-1-2-12-14-11(15-16(12)8-10)7-9-3-5-19-6-4-9/h1-2,8-9H,3-7H2,(H,17,18)
InChIKeyGIRGJCATUFENQM-UHFFFAOYSA-N
XLogP1.40
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117130151
2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117129197
2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117129871
2-(sulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117257824
methyl 2-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129300
methyl 2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129999
methyl 2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129158
2-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol
CID 117129230
2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 82566873
methyl 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129873
2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117257810
1-(oxan-4-ylmethyl)pyrrole-3-carboxylic acid
CID 79104228

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid (CID 117129285) is 2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2nc(CC3CCOCC3)nn2c1.
What is the InChIKey of 2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is GIRGJCATUFENQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-13(18)10-1-2-12-14-11(15-16(12)8-10)7-9-3-5-19-6-4-9/h1-2,8-9H,3-7H2,(H,17,18).
What are the key properties of 2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117129285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).